CID 562619

1-benzylimidazolidine-2,4,5-trione

Structural Information

Molecular Formula
C10H8N2O3
SMILES
C1=CC=C(C=C1)CN2C(=O)C(=O)NC2=O
InChI
InChI=1S/C10H8N2O3/c13-8-9(14)12(10(15)11-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)
InChIKey
GGLAGGHAVVZWSQ-UHFFFAOYSA-N
Compound name
1-benzylimidazolidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

11
Patents

204.0535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 141.3
[M+Na]+ 227.04272 150.6
[M-H]- 203.04622 144.6
[M+NH4]+ 222.08732 158.7
[M+K]+ 243.01666 146.9
[M+H-H2O]+ 187.05076 134.0
[M+HCOO]- 249.05170 162.0
[M+CH3COO]- 263.06735 180.5
[M+Na-2H]- 225.02817 144.4
[M]+ 204.05295 139.4
[M]- 204.05405 139.4
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