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2-(piperidin-1'-ylmethyl)-3-(7''-trifluoromethylquinolin-4''-ylamino)phenol
SpectraBase Compound ID FG6BGAGX892
InChI InChI=1S/C22H22F3N3O/c23-22(24,25)15-7-8-16-19(9-10-26-20(16)13-15)27-18-5-4-6-21(29)17(18)14-28-11-2-1-3-12-28/h4-10,13,29H,1-3,11-12,14H2,(H,26,27)
InChIKey YZBXNTDJUAPSKI-UHFFFAOYSA-N
Mol Weight 401.43 g/mol
Molecular Formula C22H22F3N3O
Exact Mass 401.171497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ip2rbs1JeOk
Name 2-(piperidin-1'-ylmethyl)-3-(7''-trifluoromethylquinolin-4''-ylamino)phenol
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Formula C22H22F3N3O
InChI InChI=1S/C22H22F3N3O/c23-22(24,25)15-7-8-16-19(9-10-26-20(16)13-15)27-18-5-4-6-21(29)17(18)14-28-11-2-1-3-12-28/h4-10,13,29H,1-3,11-12,14H2,(H,26,27)
InChIKey YZBXNTDJUAPSKI-UHFFFAOYSA-N
Molecular Weight 401.433 g/mol
SMILES N(c1c(c(ccc1)O)CN1CCCCC1)c1c2c(cc(C(F)(F)F)cc2)ncc1
SPLASH splash10-001i-9001100000-d7305fd71579aea29fdb
Source of Spectrum B-46-1685-0
Synonyms 2-(1-piperidinylmethyl)-3-{[7-(trifluoromethyl)-4-quinolinyl]amino}phenol 2-(piperidin-1'-ylmethyl)-3-(7''-trifluoromethylquinolin-4''-ylamino)phenol
Wiley ID 1369979