CID 3042038

58989-54-1

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CC(C(=O)O)N1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O4/c1-12(15(21)22)20-16(23)18(19-17(20)24,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3,(H,19,24)(H,21,22)
InChIKey
LUOAVQAQWXZDHZ-UHFFFAOYSA-N
Compound name
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 174.0
[M+Na]+ 347.100218 180.6
[M-H]- 323.103724 178.9
[M+NH4]+ 342.144823 187.0
[M+K]+ 363.074158 175.9
[M+H-H2O]+ 307.108260 165.5
[M+HCOO]- 369.109201 190.0
[M+CH3COO]- 383.124851 201.9
[M+Na-2H]- 345.085666 173.9
[M]+ 324.11045142 171.1
[M]- 324.11154858 171.1
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

No patent data available for this compound.