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(2Z)-3-Methoxy-2-{[(3'-(2"'-oxo-1"'-pyrrolidinyl)propyl)amino]methylene}-5-( 1H-pyrrol-2"-yl)-2H-pyrrolium acetate
SpectraBase Compound ID 2jM5FZzEz27
InChI InChI=1S/C17H22N4O2.C2H4O2/c1-23-16-11-14(13-5-2-8-19-13)20-15(16)12-18-7-4-10-21-9-3-6-17(21)22;1-2(3)4/h2,5,8,11-12,18-19H,3-4,6-7,9-10H2,1H3;1H3,(H,3,4)/b15-12-;
InChIKey OQCLFQJMTUCQOM-OBBOLZQKSA-N
Mol Weight 374.44 g/mol
Molecular Formula C19H26N4O4
Exact Mass 374.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5k1S7nitEOc
Name (2Z)-3-Methoxy-2-{[(3'-(2"'-oxo-1"'-pyrrolidinyl)propyl)amino]methylene}-5-( 1H-pyrrol-2"-yl)-2H-pyrrolium acetate
Comments Less than 3 mono-isotopic peaks
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Formula C19H26N4O4
InChI InChI=1S/C17H22N4O2.C2H4O2/c1-23-16-11-14(13-5-2-8-19-13)20-15(16)12-18-7-4-10-21-9-3-6-17(21)22;1-2(3)4/h2,5,8,11-12,18-19H,3-4,6-7,9-10H2,1H3;1H3,(H,3,4)/b15-12-;
InChIKey OQCLFQJMTUCQOM-OBBOLZQKSA-N
Molecular Weight 374.441 g/mol
SMILES C([O-])(=O)C.[NH+]1=C(C=C(\C1=C/NCCCN1C(=O)CCC1)OC)c1[nH]ccc1
SPLASH splash10-014o-0909000000-3b1c71ff6425882a5de5
Source of Spectrum B-54-358-21
Synonyms (2Z)-3-Methoxy-2-{[(3'-(2'''-oxo-1'''-pyrrolidinyl)propyl)amino]methylene}-5-(1H-pyrrol-2''-yl)-2H-pyrrolium acetate
Wiley ID 811041