CID 3522017

2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetic acid

Structural Information

Molecular Formula
C12H12N2O4
SMILES
CC1(C(=O)N(C(=O)N1)CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O4/c1-12(8-5-3-2-4-6-8)10(17)14(7-9(15)16)11(18)13-12/h2-6H,7H2,1H3,(H,13,18)(H,15,16)
InChIKey
HUTGHTWQKNQAIP-UHFFFAOYSA-N
Compound name
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 152.7
[M+Na]+ 271.06893 161.1
[M-H]- 247.07243 154.7
[M+NH4]+ 266.11353 169.5
[M+K]+ 287.04287 157.5
[M+H-H2O]+ 231.07697 146.1
[M+HCOO]- 293.07791 170.4
[M+CH3COO]- 307.09356 186.8
[M+Na-2H]- 269.05438 154.6
[M]+ 248.07916 150.9
[M]- 248.08026 150.9
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