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Tizanidine 2AC
SpectraBase Compound ID LF9mFhM8J8T
InChI InChI=1S/C13H12ClN5O2S/c1-7(20)18-6-5-15-13(18)19(8(2)21)12-9(14)3-4-10-11(12)17-22-16-10/h3-4H,5-6H2,1-2H3
InChIKey NSOGPUFXNIGTCH-UHFFFAOYSA-N
Mol Weight 337.79 g/mol
Molecular Formula C13H12ClN5O2S
Exact Mass 337.040024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Gy45cxQUPQ
Name Tizanidine 2AC
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 337.040023518 u
Formula C13H12ClN5O2S
InChI InChI=1S/C13H12ClN5O2S/c1-7(20)18-6-5-15-13(18)19(8(2)21)12-9(14)3-4-10-11(12)17-22-16-10/h3-4H,5-6H2,1-2H3
InChIKey NSOGPUFXNIGTCH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 337.785 g/mol
Nominal Mass 337 u
Quality 912
Retention Index 2741
SMILES C=1(N(C=2N(C(=O)C)CCN2)C(=O)C)C=2C(C=CC1Cl)=NSN2
SPLASH splash10-014i-2591000000-a4c24fbb629a6fce3e12
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-acetyl-4,5-dihydro-1H-imidazol-2-yl)-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)acetamide
Technique GC/MS
Wiley ID DD2024_004052