CID 9589186

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

Structural Information

Molecular Formula
C23H15ClN4O3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)Cl)/C(=O)N2/N=C/C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C23H15ClN4O3/c24-19-12-10-16(11-13-19)14-20-23(29)27(22(26-20)17-6-2-1-3-7-17)25-15-18-8-4-5-9-21(18)28(30)31/h1-15H/b20-14-,25-15+
InChIKey
MOKWMRXTZPWGCU-KLINPMNRSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)methylidene]-3-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.08328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.09056 200.5
[M+Na]+ 453.07250 217.7
[M+NH4]+ 448.11710 207.3
[M+K]+ 469.04644 212.0
[M-H]- 429.07600 209.3
[M+Na-2H]- 451.05795 211.3
[M]+ 430.08273 205.7
[M]- 430.08383 205.7
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.