CID 5706042

(5z)-5-benzylideneimidazolidine-2,4-dione

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)NC(=O)N2
InChI
InChI=1S/C10H8N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6-
InChIKey
UDTSPKADQGPZFS-VURMDHGXSA-N
Compound name
(5Z)-5-benzylideneimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

207
Patents

188.05858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 139.9
[M+Na]+ 211.047798 148.0
[M-H]- 187.051304 141.4
[M+NH4]+ 206.092403 157.1
[M+K]+ 227.021738 142.9
[M+H-H2O]+ 171.055840 132.7
[M+HCOO]- 233.056781 158.9
[M+CH3COO]- 247.072431 174.0
[M+Na-2H]- 209.033246 143.1
[M]+ 188.05803142 134.3
[M]- 188.05912858 134.3
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