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7-Fluoranyl-3-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-6-(4-methylpiperazin-1-yl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide
SpectraBase Compound ID HNWJA2wQIMO
InChI InChI=1S/C21H30FN5O4/c1-5-13(2)16(12-28)23-21(29)20-14(3)26(30)19-11-17(15(22)10-18(19)27(20)31)25-8-6-24(4)7-9-25/h10-11,13,16,28H,5-9,12H2,1-4H3,(H,23,29)
InChIKey KASWSCVJWZWDOL-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C21H30FN5O4
Exact Mass 435.228183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQRnvoPLmsM
Name 7-Fluoranyl-3-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-6-(4-methylpiperazin-1-yl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide
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Formula C21H30FN5O4
InChI InChI=1S/C21H30FN5O4/c1-5-13(2)16(12-28)23-21(29)20-14(3)26(30)19-11-17(15(22)10-18(19)27(20)31)25-8-6-24(4)7-9-25/h10-11,13,16,28H,5-9,12H2,1-4H3,(H,23,29)
InChIKey KASWSCVJWZWDOL-UHFFFAOYSA-N
Molecular Weight 435.500 g/mol
SMILES N(C(c1[n+](c2cc(c(cc2[n+](c1C)[O-])N1CCN(CC1)C)F)[O-])=O)C(CO)C(C)CC
SPLASH splash10-006x-9222200000-fcc99e2fbf2ead88a5f5
Synonyms 7-Fluoro-1,4-oxy-3-methyl-6-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide, N-(1-hydroxymethyl-2-methylbutyl)- 7-Fluoro-1-keto-3-methyl-N-(2-methyl-1-methylol-butyl)-6-(4-methylpiperazino)-4-oxido-quinoxalin-1-ium-2-carboxamide 7-Fluoro-N-(1-hydroxy-3-methylpentan-2-yl)-3-methyl-6-(4-methyl-1-piperazinyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide 7-Fluoro-N-(1-hydroxy-3-methylpentan-2-yl)-3-methyl-6-(4-methylpiperazin-1-yl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide 7-Fluoro-N-[1-(hydroxymethyl)-2-methyl-butyl]-3-methyl-6-(4-methylpiperazin-1-yl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide 7-Fluoro-N-[1-(hydroxymethyl)-2-methylbutyl]-3-methyl-6-(4-methyl-1-piperazinyl)-2-quinoxalinecarboxamide 1,4-dioxide
Wiley ID 1475061