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2-{4-[5-(4-Fluoro-phenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-ylamino}-cyclohexanol
SpectraBase Compound ID JbxfjvOsLGF
InChI InChI=1S/C22H25FN4OS/c1-27-21(20(26-22(27)29-2)14-7-9-16(23)10-8-14)15-11-12-24-19(13-15)25-17-5-3-4-6-18(17)28/h7-13,17-18,28H,3-6H2,1-2H3,(H,24,25)
InChIKey SYYLLGUNMPTDGY-UHFFFAOYSA-N
Mol Weight 412.53 g/mol
Molecular Formula C22H25FN4OS
Exact Mass 412.173311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPoJKegG8qI
Name 2-{4-[5-(4-Fluoro-phenyl)-3-methyl-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-ylamino}-cyclohexanol
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Formula C22H25FN4OS
InChI InChI=1S/C22H25FN4OS/c1-27-21(20(26-22(27)29-2)14-7-9-16(23)10-8-14)15-11-12-24-19(13-15)25-17-5-3-4-6-18(17)28/h7-13,17-18,28H,3-6H2,1-2H3,(H,24,25)
InChIKey SYYLLGUNMPTDGY-UHFFFAOYSA-N
Instrument Name Agilent 6890 plus-5973
Ionization Type EI
Molecular Weight 412.527 g/mol
SMILES N(c1cc(ccn1)-c1[n](c(nc1-c1ccc(cc1)F)SC)C)C1C(CCCC1)O
SPLASH splash10-03dl-0019200000-85ace85ae385cae28e1e
Source of Spectrum US20100069436A1
Wiley ID 1842123