| SpectraBase Spectrum ID |
5V4N4HdZtA0 |
| Name |
Quetiapine-M (Desalkyl) |
| CAS Registry Number |
5747-48-8 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
295.114318733 u |
| Formula |
C17H17N3S |
| InChI |
InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2 |
| InChIKey |
JLOAJISUHPIQOX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
295.404 g/mol |
| Nominal Mass |
295 u |
| Quality |
991 |
| Retention Index |
2468 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCNCC1 |
| SPLASH |
splash10-01t9-1290000000-efe6634b5625d473b526 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Norquetiapine
11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032491 |
![N-Des[2-(2-hydroxyethoxy)ethyl] quetiapine](/api/spectrum/5V4N4HdZtA0/structure.png?h=300&w=458 "N-Des[2-(2-hydroxyethoxy)ethyl] quetiapine")
