CID 71373871

1-{[(2-nitrophenyl)methylidene]amino}imidazolidine-2,4-dione

Structural Information

Molecular Formula
C10H8N4O4
SMILES
C1C(=O)NC(=O)N1N=CC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O4/c15-9-6-13(10(16)12-9)11-5-7-3-1-2-4-8(7)14(17)18/h1-5H,6H2,(H,12,15,16)
InChIKey
FULJCJZKZXOFQZ-UHFFFAOYSA-N
Compound name
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.05455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.061826 150.2
[M+Na]+ 271.043768 157.1
[M-H]- 247.047274 154.8
[M+NH4]+ 266.088373 165.0
[M+K]+ 287.017708 150.0
[M+H-H2O]+ 231.051810 146.4
[M+HCOO]- 293.052751 174.2
[M+CH3COO]- 307.068401 186.2
[M+Na-2H]- 269.029216 156.4
[M]+ 248.05400142 146.3
[M]- 248.05509858 146.3
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