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7-(4-((2,4-Dimethoxyphenyl)sulfonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID 9VcYQ8MfDLj
InChI InChI=1S/C25H26FN3O7S/c1-35-16-5-6-23(22(11-16)36-2)37(33,34)28-9-7-27(8-10-28)21-13-20-17(12-19(21)26)24(30)18(25(31)32)14-29(20)15-3-4-15/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,31,32)
InChIKey HRRKDYBZTCCUSL-UHFFFAOYSA-N
Mol Weight 531.56 g/mol
Molecular Formula C25H26FN3O7S
Exact Mass 531.14755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCm33dROLXt
Name 7-(4-((2,4-Dimethoxyphenyl)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-dimethoxyphenyl)sulfonyl-1-piperazinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid 1-cyclopropyl-7-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid 1-cyclopropyl-7-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid 1-cyclopropyl-7-[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C25H26FN3O7S
InChI InChI=1S/C25H26FN3O7S/c1-35-16-5-6-23(22(11-16)36-2)37(33,34)28-9-7-27(8-10-28)21-13-20-17(12-19(21)26)24(30)18(25(31)32)14-29(20)15-3-4-15/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,31,32)
InChIKey HRRKDYBZTCCUSL-UHFFFAOYSA-N
Molecular Weight 531.555 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)C1CC1)N1CCN(S(c2c(cc(cc2)OC)OC)(=O)=O)CC1)F)=O)=O
SPLASH splash10-001i-0000090000-f5d76bb24976ca30b634
Source of Spectrum F2-46-5494-3b
Wiley ID 1690221