CID 9589184

126245-05-4

Structural Information

Molecular Formula
C23H15BrN4O3
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C(=O)N2/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H15BrN4O3/c24-19-10-6-17(7-11-19)15-25-27-22(18-4-2-1-3-5-18)26-21(23(27)29)14-16-8-12-20(13-9-16)28(30)31/h1-15H/b21-14-,25-15+
InChIKey
MMSJWIWIVOKGOX-JPCQLYNOSA-N
Compound name
(5Z)-3-[(E)-(4-bromophenyl)methylideneamino]-5-[(4-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 206.4
[M+Na]+ 497.02197 214.5
[M-H]- 473.02547 219.9
[M+NH4]+ 492.06657 215.9
[M+K]+ 512.99591 197.1
[M+H-H2O]+ 457.03001 204.9
[M+HCOO]- 519.03095 227.9
[M+CH3COO]- 533.04660 226.5
[M+Na-2H]- 495.00742 210.3
[M]+ 474.03220 223.1
[M]- 474.03330 223.1
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.