Download: Download full-size image Figure 3. Structures of the new 1,3,5‐substituted 2,4,6‐triethylbenzene derivatives consisting of both cycloalkylamino unit(s) and aminopyridine‐/aminopyrimidine‐based recognition group(s). Type A and B: compounds comprising two cycloalkylamino units and on...
The analyses were all performed on a GC-HRMS–Hewlett-Packard 5890 gas chromatograph (Agilent Technology, Santa Clara, USA) coupled to an Autospec Ultima Mass Spectrometer (Waters Corporation, Milford, USA), using a DB5 column (60 m length, 0.32 mm internal diameter, 25 μm film thickness) ...
HRMS: calculated for C65H121N1735Cl [M + H]+: 1174.9697; found 1174.9697. G2c-N~NH (6.63 g, 88%), with respect to G2c-Cl, was obtained from the reaction of G2c-Cl (7.25 g, 6.16 mmol) with piperazine (1.59 g, 18.48 mmol) in a similar manner to prepare G1c-N~NH. 1H NMR ...
150.7. HRMS m/z (EI-MS): 643.3418; calcd. for C44H43N4O [M + H]+, 643.3431. 4,7-Bis(9-(p-tolyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazol-6-yl)benzo[c][1,2,5]thiadiazole (1b) Orange solid, yield 162 mg (82%), m.p. 183–185 °C. Rf = 0.53 (hexane:ethylacetate, ...
Detailed information about LC conditions, HESI-MS parameters, and LC-HRMS data are available in the Supplementary Material (Tables S5 and S6). Xcalibur 4.1 was used for the instrument control, and Trace Finder 4.1 EFS quantification purposes. 2.4.3. Quality Assurance/Quality Control (QA/QC) ...
Owing to the very low pKa of the functional groups of DOR, another site of protonation is the fluoride atoms of the molecule. This explains why C17H11ClF2N5O3+is the second most intensely detected ion in the LC-HRMS2spectra of DOR. The possibility of protonation of this site explains the...
MHz, DMSO-d6) δ 162.9, 155.1, 154.1, 153.6, 147.4, 147.0, 142.8, 141.9, 136.7, 126.3, 123.2, 121.5, 107.8, 107.7, 102.1, 86.8, 84.5, 72.5, 66.8, 63.0, 37.8, 36.6, 33.5, 28.2, 27.9, 25.9, 25.9, 25.0, 24.0, 18.2, 17.9, 13.4, −4.6, −4.7, −5.3, −5.3; ESI-HRMS...