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4-{4-[5-(4-Fluoro-phenyl)-2-methanesulfinyl-3-methyl-3H-imidazol-4-yl]-Pyridin-2-ylamino}-cyclohexanol
SpectraBase Compound ID LMDgIPaWuoa
InChI InChI=1S/C22H25FN4O2S/c1-27-21(20(26-22(27)30(2)29)14-3-5-16(23)6-4-14)15-11-12-24-19(13-15)25-17-7-9-18(28)10-8-17/h3-6,11-13,17-18,28H,7-10H2,1-2H3,(H,24,25)
InChIKey DKGIVNCOIGWBDE-UHFFFAOYSA-N
Mol Weight 428.53 g/mol
Molecular Formula C22H25FN4O2S
Exact Mass 428.168225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TBoE4gr6V9
Name 4-{4-[5-(4-Fluoro-phenyl)-2-methanesulfinyl-3-methyl-3H-imidazol-4-yl]-Pyridin-2-ylamino}-cyclohexanol
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Formula C22H25FN4O2S
InChI InChI=1S/C22H25FN4O2S/c1-27-21(20(26-22(27)30(2)29)14-3-5-16(23)6-4-14)15-11-12-24-19(13-15)25-17-7-9-18(28)10-8-17/h3-6,11-13,17-18,28H,7-10H2,1-2H3,(H,24,25)
InChIKey DKGIVNCOIGWBDE-UHFFFAOYSA-N
Instrument Name Agilent 6890 plus-5973
Ionization Type EI
Molecular Weight 428.526 g/mol
SMILES N(c1cc(ccn1)-c1[n](c(nc1-c1ccc(cc1)F)S(=O)C)C)C1CCC(CC1)O
SPLASH splash10-0a4i-1090000000-e9194ddf91e3b6a85194
Source of Spectrum US20100069436A1
Wiley ID 1842127