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7-(3-amino-1-piperidinyl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid
SpectraBase Compound ID 4OZsWi90pxq
InChI InChI=1S/C19H19F4N3O3/c20-13-6-11-15(26(10-3-4-10)8-12(17(11)27)18(28)29)14(19(21,22)23)16(13)25-5-1-2-9(24)7-25/h6,8-10H,1-5,7,24H2,(H,28,29)
InChIKey SQXAURKPYGWOJK-UHFFFAOYSA-N
Mol Weight 413.37 g/mol
Molecular Formula C19H19F4N3O3
Exact Mass 413.136254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrAl0Un3ImF
Name 7-(3-amino-1-piperidinyl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid
Alternate Name(s) 7-(3-amino-1-piperidyl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid 7-(3-aminopiperidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid 7-(3-aminopiperidino)-1-cyclopropyl-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid 7-(3-azanylpiperidin-1-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C19H19F4N3O3
InChI InChI=1S/C19H19F4N3O3/c20-13-6-11-15(26(10-3-4-10)8-12(17(11)27)18(28)29)14(19(21,22)23)16(13)25-5-1-2-9(24)7-25/h6,8-10H,1-5,7,24H2,(H,28,29)
InChIKey SQXAURKPYGWOJK-UHFFFAOYSA-N
Molecular Weight 413.373 g/mol
SMILES NC1CN(c2c(cc3c(N(C=C(C(=O)O)C3=O)C3CC3)c2C(F)(F)F)F)CCC1
SPLASH splash10-0229-0009500000-5640dba19e89bc845b46
Source of Spectrum F2-35-367-23
Wiley ID 1574235