CID 54294847

1h-imidazole-4,5-dicarboxylic acid, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-

Structural Information

Molecular Formula
C19H16N2O5
SMILES
C1=CC=C(C=C1)CN2C(=C(N(C2=O)CC3=CC=CC=C3)C(=O)O)C(=O)O
InChI
InChI=1S/C19H16N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,22,23)(H,24,25)
InChIKey
SABUYEGPZROXGT-UHFFFAOYSA-N
Compound name
1,3-dibenzyl-2-oxoimidazole-4,5-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

352.10593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 179.2
[M+Na]+ 375.09515 186.9
[M-H]- 351.09865 184.8
[M+NH4]+ 370.13975 189.3
[M+K]+ 391.06909 182.0
[M+H-H2O]+ 335.10319 169.9
[M+HCOO]- 397.10413 197.8
[M+CH3COO]- 411.11978 208.2
[M+Na-2H]- 373.08060 178.7
[M]+ 352.10538 180.8
[M]- 352.10648 180.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe