| SpectraBase Spectrum ID |
8GIQ2wltOD2 |
| Name |
Quetiapine-M (N-Ethyl) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
323.145618862 u |
| Formula |
C19H21N3S |
| InChI |
InChI=1S/C19H21N3S/c1-2-21-11-13-22(14-12-21)19-15-7-3-5-9-17(15)23-18-10-6-4-8-16(18)20-19/h3-10H,2,11-14H2,1H3 |
| InChIKey |
KUKQJNQKJWEVCE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
323.458 g/mol |
| Nominal Mass |
323 u |
| Quality |
909 |
| Retention Index |
2630 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)CC |
| SPLASH |
splash10-08gs-7190000000-3d03fcac56509db680ed |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
11-(4-ethylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009298 |
