| SpectraBase Spectrum ID |
2oWzJbYcSzw |
| Name |
Quetiapine-M (-CH2OC2H4OH,Oxo) |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
323.109233352 u |
| Formula |
C18H17N3OS |
| InChI |
InChI=1S/C18H17N3OS/c22-13-20-9-11-21(12-10-20)18-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)19-18/h1-8,13H,9-12H2 |
| InChIKey |
MXFQNZOZYBEIIP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
323.414 g/mol |
| Nominal Mass |
323 u |
| Quality |
895 |
| Retention Index |
2627 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)C=O |
| SPLASH |
splash10-03di-1291000000-8a2bc9452bed67dd1580 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazine-1-carbaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009284 |
