CID 9589229

126293-30-9

Structural Information

Molecular Formula
C23H15BrN4O3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3[N+](=O)[O-])/C(=O)N2/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H15BrN4O3/c24-19-12-10-16(11-13-19)15-25-27-22(17-6-2-1-3-7-17)26-20(23(27)29)14-18-8-4-5-9-21(18)28(30)31/h1-15H/b20-14-,25-15+
InChIKey
GDJWENQQVOQJPN-KLINPMNRSA-N
Compound name
(5Z)-3-[(E)-(4-bromophenyl)methylideneamino]-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.03275 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.04003 207.1
[M+Na]+ 497.02197 213.0
[M+NH4]+ 492.06657 209.8
[M+K]+ 512.99591 213.7
[M-H]- 473.02547 213.1
[M+Na-2H]- 495.00742 213.0
[M]+ 474.03220 208.4
[M]- 474.03330 208.4
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.