CID 123226

N,n'-dimethylparabanic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
CN1C(=O)C(=O)N(C1=O)C
InChI
InChI=1S/C5H6N2O3/c1-6-3(8)4(9)7(2)5(6)10/h1-2H3
InChIKey
UJYBVDOLXHCNOL-UHFFFAOYSA-N
Compound name
1,3-dimethylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

107
Patents

142.03784 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 123.0
[M+Na]+ 165.027058 134.4
[M-H]- 141.030564 125.0
[M+NH4]+ 160.071663 144.4
[M+K]+ 181.000998 133.7
[M+H-H2O]+ 125.035100 117.6
[M+HCOO]- 187.036041 145.3
[M+CH3COO]- 201.051691 173.6
[M+Na-2H]- 163.012506 126.4
[M]+ 142.03729142 124.1
[M]- 142.03838858 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe