CID 9589194

126245-15-6

Structural Information

Molecular Formula
C23H15BrClN3O
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)Br)/C(=O)N2/N=C/C4=CC=CC=C4Cl
InChI
InChI=1S/C23H15BrClN3O/c24-19-12-10-16(11-13-19)14-21-23(29)28(22(27-21)17-6-2-1-3-7-17)26-15-18-8-4-5-9-20(18)25/h1-15H/b21-14-,26-15+
InChIKey
VKXIUXNIQXZVAI-IKCALLGASA-N
Compound name
(5Z)-5-[(4-bromophenyl)methylidene]-3-[(E)-(2-chlorophenyl)methylideneamino]-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 204.1
[M+Na]+ 485.99792 211.8
[M+NH4]+ 481.04252 208.3
[M+K]+ 501.97186 208.4
[M-H]- 462.00142 209.9
[M+Na-2H]- 483.98337 211.2
[M]+ 463.00815 206.1
[M]- 463.00925 206.1
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.