CID 9589188

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

Structural Information

Molecular Formula
C23H15BrClN3O
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)Cl)/C(=O)N2/N=C/C4=CC=CC=C4Br
InChI
InChI=1S/C23H15BrClN3O/c24-20-9-5-4-8-18(20)15-26-28-22(17-6-2-1-3-7-17)27-21(23(28)29)14-16-10-12-19(25)13-11-16/h1-15H/b21-14-,26-15+
InChIKey
HFVIUXIWJUQJQO-IKCALLGASA-N
Compound name
(5Z)-3-[(E)-(2-bromophenyl)methylideneamino]-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.0087 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.01598 202.9
[M+Na]+ 485.99792 215.1
[M-H]- 462.00142 216.4
[M+NH4]+ 481.04252 215.4
[M+K]+ 501.97186 199.3
[M+H-H2O]+ 446.00596 198.6
[M+HCOO]- 508.00690 219.5
[M+CH3COO]- 522.02255 214.5
[M+Na-2H]- 483.98337 204.5
[M]+ 463.00815 223.0
[M]- 463.00925 223.0
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.