CID 23136837

4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H10N2O4/c1-11(9(16)12-10(17)13-11)7-4-2-6(3-5-7)8(14)15/h2-5H,1H3,(H,14,15)(H2,12,13,16,17)
InChIKey
GQOVIFKCRUPMQR-UHFFFAOYSA-N
Compound name
4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

234.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.071336 149.3
[M+Na]+ 257.053278 157.7
[M-H]- 233.056784 150.1
[M+NH4]+ 252.097883 166.0
[M+K]+ 273.027218 153.6
[M+H-H2O]+ 217.061320 143.2
[M+HCOO]- 279.062261 165.9
[M+CH3COO]- 293.077911 181.5
[M+Na-2H]- 255.038726 151.2
[M]+ 234.06351142 145.3
[M]- 234.06460858 145.3
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