| SpectraBase Spectrum ID |
20Mgt0dBQW |
| Name |
Quetiapine |
| CAS Registry Number |
111974-69-7 |
| Classification |
Neuroleptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
383.166748229 u |
| Formula |
C21H25N3O2S |
| InChI |
InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 |
| InChIKey |
URKOMYMAXPYINW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
383.510 g/mol |
| SMILES |
C(COCCN1CCN(C=2c3ccccc3Sc3ccccc3N2)CC1)O |
| SPLASH |
splash10-03di-2491000000-25853e6f948cebad2a27 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6448 |
