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

2
Patents

248.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 152.7
[M+Na]+ 271.068928 161.1
[M-H]- 247.072434 154.7
[M+NH4]+ 266.113533 169.5
[M+K]+ 287.042868 157.5
[M+H-H2O]+ 231.076970 146.1
[M+HCOO]- 293.077911 170.4
[M+CH3COO]- 307.093561 186.8
[M+Na-2H]- 269.054376 154.6
[M]+ 248.07916142 150.9
[M]- 248.08025858 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