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(1,2-Dimethylpropyl)-{4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanil-3H-imidazol-4-yl]pyridin-2-yl}amine
SpectraBase Compound ID AYb0x7s37MG
InChI InChI=1S/C21H25FN4S/c1-13(2)14(3)24-18-12-16(10-11-23-18)20-19(25-21(27-5)26(20)4)15-6-8-17(22)9-7-15/h6-14H,1-5H3,(H,23,24)
InChIKey JQSOAFKUUAJIOO-UHFFFAOYSA-N
Mol Weight 384.52 g/mol
Molecular Formula C21H25FN4S
Exact Mass 384.178396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UKGtUnApyy
Name (1,2-Dimethylpropyl)-{4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanil-3H-imidazol-4-yl]pyridin-2-yl}amine
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Formula C21H25FN4S
InChI InChI=1S/C21H25FN4S/c1-13(2)14(3)24-18-12-16(10-11-23-18)20-19(25-21(27-5)26(20)4)15-6-8-17(22)9-7-15/h6-14H,1-5H3,(H,23,24)
InChIKey JQSOAFKUUAJIOO-UHFFFAOYSA-N
Instrument Name Agilent GC 6890 plus + MSD 5973
Ionization Type EI
Molecular Weight 384.517 g/mol
SMILES N(c1cc(-c2c(-c3ccc(cc3)F)nc(SC)[n]2C)ccn1)C(C(C)C)C
SPLASH splash10-0006-0009000000-96b40f347a532e021494
Source of Spectrum BRPI0608739A2
Wiley ID 1861439