| SpectraBase Spectrum ID |
8JVhlOamWAK |
| Name |
Quetiapine-M (Formyloxy) |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
367.135448100 u |
| Formula |
C20H21N3O2S |
| InChI |
InChI=1S/C20H21N3O2S/c24-15-25-14-13-22-9-11-23(12-10-22)20-16-5-1-3-7-18(16)26-19-8-4-2-6-17(19)21-20/h1-8,15H,9-14H2 |
| InChIKey |
DLZLDIZZFXFFDP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
367.467 g/mol |
| Nominal Mass |
367 u |
| Quality |
955 |
| Retention Index |
2936 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)CCOC=O |
| SPLASH |
splash10-08i0-1390000000-dfeab3c7852f2f5445a8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethyl formate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024597 |
