CID 577259

1-phenylimidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC=C(C=C1)N2C(=O)C(=O)NC2=O
InChI
InChI=1S/C9H6N2O3/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5H,(H,10,12,14)
InChIKey
AVIPDXGMHBJIGG-UHFFFAOYSA-N
Compound name
1-phenylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

35
Patents

190.03784 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 136.8
[M+Na]+ 213.02706 146.5
[M-H]- 189.03056 140.2
[M+NH4]+ 208.07166 154.8
[M+K]+ 229.00100 143.0
[M+H-H2O]+ 173.03510 129.7
[M+HCOO]- 235.03604 157.8
[M+CH3COO]- 249.05169 177.5
[M+Na-2H]- 211.01251 140.4
[M]+ 190.03729 134.6
[M]- 190.03839 134.6
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