CID 4466799

3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoic acid

Structural Information

Molecular Formula
C12H12N2O4
SMILES
C1=CC=C(C=C1)N2C(=O)C(NC2=O)CCC(=O)O
InChI
InChI=1S/C12H12N2O4/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)
InChIKey
DLATUVFNWPJQLB-UHFFFAOYSA-N
Compound name
3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08699 153.7
[M+Na]+ 271.06893 161.1
[M-H]- 247.07243 155.3
[M+NH4]+ 266.11353 168.4
[M+K]+ 287.04287 157.2
[M+H-H2O]+ 231.07697 146.2
[M+HCOO]- 293.07791 171.4
[M+CH3COO]- 307.09356 187.3
[M+Na-2H]- 269.05438 154.2
[M]+ 248.07916 151.5
[M]- 248.08026 151.5
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.