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2-(benzyl)-3-methyl-5-(propyl-(propylcarbamoyl)amino)imidazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID CjTkV0HK26z
InChI InChI=1S/C21H30N4O3/c1-5-13-22-21(27)25(14-6-2)19-18(20(26)28-7-3)24(4)17(23-19)15-16-11-9-8-10-12-16/h8-12H,5-7,13-15H2,1-4H3,(H,22,27)
InChIKey VBFHELBPPZGATO-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C21H30N4O3
Exact Mass 386.231791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jh6Kyi42yI1
Name N1-[2-Benzyl-1-methyl-5-ethoxycarbonyl)imidazol-4-yl]-N1-propyl-N2-propylurea
Alternate Name(s) 3-methyl-5-[[oxo(propylamino)methyl]-propylamino]-2-(phenylmethyl)-4-imidazolecarboxylic acid ethyl ester ethyl 2-benzyl-3-methyl-5-[propyl(propylcarbamoyl)amino]imidazole-4-carboxylate ethyl 3-methyl-2-(phenylmethyl)-5-[propyl(propylcarbamoyl)amino]imidazole-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H30N4O3
InChI InChI=1S/C21H30N4O3/c1-5-13-22-21(27)25(14-6-2)19-18(20(26)28-7-3)24(4)17(23-19)15-16-11-9-8-10-12-16/h8-12H,5-7,13-15H2,1-4H3,(H,22,27)
InChIKey VBFHELBPPZGATO-UHFFFAOYSA-N
Molecular Weight 386.496 g/mol
SMILES N(C(N(c1c([n](C)c(n1)Cc1ccccc1)C(=O)OCC)CCC)=O)CCC
SPLASH splash10-00di-0093000000-c8f6a862ed756754cf65
Source of Spectrum E2-50-1380-3
Wiley ID 1555939