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 192.1
[M+Na]+ 529.94742 201.4
[M-H]- 505.95092 204.6
[M+NH4]+ 524.99202 203.6
[M+K]+ 545.92136 185.2
[M+H-H2O]+ 489.95546 197.4
[M+HCOO]- 551.95640 207.9
[M+CH3COO]- 565.97205 203.1
[M+Na-2H]- 527.93287 194.4
[M]+ 506.95765 225.4
[M]- 506.95875 225.4
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.