CID 3076363

4,4-diphenyl-alpha-methyl-5-oxo-1-imidazolidineacetic acid

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C(=O)O)N1CNC(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O3/c1-13(16(21)22)20-12-19-18(17(20)23,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,19H,12H2,1H3,(H,21,22)
InChIKey
GCQOSEAWCXWTRC-UHFFFAOYSA-N
Compound name
2-(5-oxo-4,4-diphenylimidazolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 173.1
[M+Na]+ 333.12096 184.6
[M+NH4]+ 328.16556 180.4
[M+K]+ 349.09490 179.2
[M-H]- 309.12446 175.6
[M+Na-2H]- 331.10641 181.1
[M]+ 310.13119 175.3
[M]- 310.13229 175.3
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.