CID 9589224

4-(o-nitrobenzylidene)-1-((o-nitrobenzylidene)amino)-2-phenyl-2-imidazolin-5-one

Structural Information

Molecular Formula
C23H15N5O5
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3[N+](=O)[O-])/C(=O)N2/N=C/C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C23H15N5O5/c29-23-19(14-17-10-4-6-12-20(17)27(30)31)25-22(16-8-2-1-3-9-16)26(23)24-15-18-11-5-7-13-21(18)28(32)33/h1-15H/b19-14-,24-15+
InChIKey
WYBKSAHLJWPDFV-MECGSCCCSA-N
Compound name
(5Z)-5-[(2-nitrophenyl)methylidene]-3-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.10733 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.11461 205.9
[M+Na]+ 464.09655 208.5
[M-H]- 440.10005 217.0
[M+NH4]+ 459.14115 210.7
[M+K]+ 480.07049 194.5
[M+H-H2O]+ 424.10459 201.5
[M+HCOO]- 486.10553 229.4
[M+CH3COO]- 500.12118 220.9
[M+Na-2H]- 462.08200 211.7
[M]+ 441.10678 201.2
[M]- 441.10788 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.