CID 204824

17039-41-7

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC1(C(=O)N(C(=O)N1)CCC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O4/c1-13(9-5-3-2-4-6-9)11(18)15(12(19)14-13)8-7-10(16)17/h2-6H,7-8H2,1H3,(H,14,19)(H,16,17)
InChIKey
SMPDRRDLXYTHBJ-UHFFFAOYSA-N
Compound name
3-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 159.4
[M+Na]+ 285.08459 169.2
[M+NH4]+ 280.12919 165.6
[M+K]+ 301.05853 165.2
[M-H]- 261.08809 158.6
[M+Na-2H]- 283.07004 164.0
[M]+ 262.09482 160.2
[M]- 262.09592 160.2
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.