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N-[(1H-Indol-5-yl){3-(trifluoromethyl)phenyl}methyl]-3-methylpyridin-2-amine
SpectraBase Compound ID xrorhEee4y
InChI InChI=1S/C22H18F3N3/c1-14-4-3-10-27-21(14)28-20(16-5-2-6-18(13-16)22(23,24)25)17-7-8-19-15(12-17)9-11-26-19/h2-13,20,26H,1H3,(H,27,28)
InChIKey LLUYQOFELNWMED-UHFFFAOYSA-N
Mol Weight 381.4 g/mol
Molecular Formula C22H18F3N3
Exact Mass 381.145282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ywePCYTE0O
Name N-[(1H-Indol-5-yl){3-(trifluoromethyl)phenyl}methyl]-3-methylpyridin-2-amine
Appearance Colorless solid
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Exact Mass 381.145282081 u
Formula C22H18F3N3
InChI InChI=1S/C22H18F3N3/c1-14-4-3-10-27-21(14)28-20(16-5-2-6-18(13-16)22(23,24)25)17-7-8-19-15(12-17)9-11-26-19/h2-13,20,26H,1H3,(H,27,28)
InChIKey LLUYQOFELNWMED-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo400658d
Molecular Weight 381.402 g/mol
Quality 81
Reported Formula C22H18F3N3
SMILES N(C1=C(C=CC=N1)C)C(C1=CC2=C(C=C1)NC=C2)C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-00e9-0095000000-b41a26d4f8a283016133
Source of Spectrum JOC-78-4151-3hk (DOI: 10.1021/jo400658d)
Wiley ID 1912556