CID 4962468

2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CC(=O)O
InChI
InChI=1S/C13H14N2O4/c1-8-3-5-10(6-4-8)15-9(2)12(18)14(13(15)19)7-11(16)17/h3-6,9H,7H2,1-2H3,(H,16,17)
InChIKey
XBLRLNUGHFWYID-UHFFFAOYSA-N
Compound name
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 156.6
[M+Na]+ 285.08459 165.8
[M-H]- 261.08809 160.2
[M+NH4]+ 280.12919 172.1
[M+K]+ 301.05853 162.7
[M+H-H2O]+ 245.09263 149.4
[M+HCOO]- 307.09357 175.4
[M+CH3COO]- 321.10922 195.2
[M+Na-2H]- 283.07004 155.8
[M]+ 262.09482 157.4
[M]- 262.09592 157.4
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.