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1-Cyclopropyl-1,4-dihydro-6-fluoro-5-hydroxymethyl-7-(4-methoxybenzyl)amino-4-oxo-3-quinolinecarboxylic acid
SpectraBase Compound ID KXiXoC7yTVg
InChI InChI=1S/C22H21FN2O5/c1-30-14-6-2-12(3-7-14)9-24-17-8-18-19(16(11-26)20(17)23)21(27)15(22(28)29)10-25(18)13-4-5-13/h2-3,6-8,10,13,24,26H,4-5,9,11H2,1H3,(H,28,29)
InChIKey ZYZXVXCIIDXGGU-UHFFFAOYSA-N
Mol Weight 412.42 g/mol
Molecular Formula C22H21FN2O5
Exact Mass 412.14345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ekqi9aYqhSI
Name 1-Cyclopropyl-1,4-dihydro-6-fluoro-5-hydroxymethyl-7-(4-methoxybenzyl)amino-4-oxo-3-quinolinecarboxylic acid
Alternate Name(s) 1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-[(4-methoxybenzyl)amino]-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxo-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxoquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxo-quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoranyl-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-quinoline-3-carboxylic acid
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Formula C22H21FN2O5
InChI InChI=1S/C22H21FN2O5/c1-30-14-6-2-12(3-7-14)9-24-17-8-18-19(16(11-26)20(17)23)21(27)15(22(28)29)10-25(18)13-4-5-13/h2-3,6-8,10,13,24,26H,4-5,9,11H2,1H3,(H,28,29)
InChIKey ZYZXVXCIIDXGGU-UHFFFAOYSA-N
Molecular Weight 412.417 g/mol
SMILES N(c1cc2N(C=C(C(c2c(CO)c1F)=O)C(=O)O)C1CC1)Cc1ccc(cc1)OC
SPLASH splash10-00e9-0976100000-34a05bfdddcf7f60f6cf
Source of Spectrum E1-43-2249-17
Wiley ID 1553186