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1-(2-(5-(4-((methylamino)methyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID INqx8HPgXPc
InChI InChI=1S/C20H28N4OS/c1-14(26-3)20(25)24-11-5-4-6-18(24)19-22-13-17(23-19)16-9-7-15(8-10-16)12-21-2/h7-10,13-14,18,21H,4-6,11-12H2,1-3H3,(H,22,23)
InChIKey WSNOKKAPCCXTMO-UHFFFAOYSA-N
Mol Weight 372.53 g/mol
Molecular Formula C20H28N4OS
Exact Mass 372.198383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWQYrHflO0D
Name 1-(2-(5-(4-((methylamino)methyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance Pale yellow solid
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Formula C20H28N4OS
InChI InChI=1S/C20H28N4OS/c1-14(26-3)20(25)24-11-5-4-6-18(24)19-22-13-17(23-19)16-9-7-15(8-10-16)12-21-2/h7-10,13-14,18,21H,4-6,11-12H2,1-3H3,(H,22,23)
InChIKey WSNOKKAPCCXTMO-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 372.531 g/mol
SMILES N(C)Cc1ccc(-c2cnc([nH]2)C2N(CCCC2)C(C(C)SC)=O)cc1
SPLASH splash10-014i-2090000000-b5a7ff916a9dc1f6c324
Source of Spectrum WO2021074281A1
Wiley ID 1880055