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]+ 325.11828 174.0
[M+Na]+ 347.10022 180.6
[M-H]- 323.10372 178.9
[M+NH4]+ 342.14482 187.0
[M+K]+ 363.07416 175.9
[M+H-H2O]+ 307.10826 165.5
[M+HCOO]- 369.10920 190.0
[M+CH3COO]- 383.12485 201.9
[M+Na-2H]- 345.08567 173.9
[M]+ 324.11045 171.1
[M]- 324.11155 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.