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Quetiapine-M (Desalkyl) AC
SpectraBase Compound ID 4LckpwS7alM
InChI InChI=1S/C19H19N3OS/c1-14(23)21-10-12-22(13-11-21)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)20-19/h2-9H,10-13H2,1H3
InChIKey HXDQJFMZTKIQQN-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C19H19N3OS
Exact Mass 337.124883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mhZqvLqcQC
Name Quetiapine-M (Desalkyl) AC
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 337.124883417 u
Formula C19H19N3OS
InChI InChI=1S/C19H19N3OS/c1-14(23)21-10-12-22(13-11-21)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)20-19/h2-9H,10-13H2,1H3
InChIKey HXDQJFMZTKIQQN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.441 g/mol
Nominal Mass 337 u
Quality 995
Retention Index 2727
SMILES C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)C(=O)C
SPLASH splash10-0iki-1291000000-e026a7d9a3304da2f06f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethan-1-one
Technique GC/MS
Wiley ID DD2024_033249