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7-(4-((2,4-Difluorophenyl)sulfonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID 1KkBxT648YO
InChI InChI=1S/C23H20F3N3O5S/c24-13-1-4-21(18(26)9-13)35(33,34)28-7-5-27(6-8-28)20-11-19-15(10-17(20)25)22(30)16(23(31)32)12-29(19)14-2-3-14/h1,4,9-12,14H,2-3,5-8H2,(H,31,32)
InChIKey VPHFEBHYXHHJGH-UHFFFAOYSA-N
Mol Weight 507.48 g/mol
Molecular Formula C23H20F3N3O5S
Exact Mass 507.107576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8C7okKvsThO
Name 7-(4-((2,4-Difluorophenyl)sulfonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Alternate Name(s) 1-cyclopropyl-7-[4-(2,4-difluorophenyl)sulfonyl-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid 1-cyclopropyl-7-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid 1-cyclopropyl-7-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid 7-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C23H20F3N3O5S
InChI InChI=1S/C23H20F3N3O5S/c24-13-1-4-21(18(26)9-13)35(33,34)28-7-5-27(6-8-28)20-11-19-15(10-17(20)25)22(30)16(23(31)32)12-29(19)14-2-3-14/h1,4,9-12,14H,2-3,5-8H2,(H,31,32)
InChIKey VPHFEBHYXHHJGH-UHFFFAOYSA-N
Molecular Weight 507.484 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)C1CC1)N1CCN(S(c2c(cc(cc2)F)F)(=O)=O)CC1)F)=O)=O
SPLASH splash10-0a4i-0000090000-04c552880bd3617764f2
Source of Spectrum F2-46-5494-5b
Wiley ID 1690217