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10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylthio)-
SpectraBase Compound ID 91DvNpKLyoW
InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey KLBQZWRITKRQQV-UHFFFAOYSA-N
Mol Weight 370.57 g/mol
Molecular Formula C21H26N2S2
Exact Mass 370.153741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ6EgywVstk
Name Thioridazine
CAS Registry Number 50-52-2
Classification Pharmaceutical drug, tranquiliser
Comments Spectrum verified by crosschecking against external libraries (one 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 370.153741193 u
Formula C21H26N2S2
InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey KLBQZWRITKRQQV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 370.573 g/mol
Nominal Mass 370 u
Quality 993
Retention Index 3114
SMILES C1=2N(C=3C(SC2C=CC(=C1)SC)=CC=CC3)CCC1N(CCCC1)C
SPLASH splash10-0002-9211000000-c1e1447eb86deaeb78f5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 10-[2-(1-Methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine
Technique GC/MS
Wiley ID DD2024_004030