CID 9589243

126293-44-5

Structural Information

Molecular Formula
C23H15Br2N3O
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3Br)/C(=O)N2/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H15Br2N3O/c24-19-12-10-16(11-13-19)15-26-28-22(17-6-2-1-3-7-17)27-21(23(28)29)14-18-8-4-5-9-20(18)25/h1-15H/b21-14-,26-15+
InChIKey
JTJNHQUJJGJNQM-IKCALLGASA-N
Compound name
(5Z)-5-[(2-bromophenyl)methylidene]-3-[(E)-(4-bromophenyl)methylideneamino]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.9582 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.96548 195.7
[M+Na]+ 529.94742 192.6
[M+NH4]+ 524.99202 196.9
[M+K]+ 545.92136 196.9
[M-H]- 505.95092 199.5
[M+Na-2H]- 527.93287 198.6
[M]+ 506.95765 195.4
[M]- 506.95875 195.4
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.