CID 9589192

126245-13-4

Structural Information

Molecular Formula
C23H16BrN3O
SMILES
C1=CC=C(C=C1)/C=N/N2C(=N/C(=C\C3=CC=C(C=C3)Br)/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H16BrN3O/c24-20-13-11-17(12-14-20)15-21-23(28)27(25-16-18-7-3-1-4-8-18)22(26-21)19-9-5-2-6-10-19/h1-16H/b21-15-,25-16+
InChIKey
ALBFBZZPBRIOBS-ODYMTFIRSA-N
Compound name
(5Z)-3-[(E)-benzylideneamino]-5-[(4-bromophenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.04767 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.05495 196.8
[M+Na]+ 452.03689 203.4
[M+NH4]+ 447.08149 200.8
[M+K]+ 468.01083 200.8
[M-H]- 428.04039 202.5
[M+Na-2H]- 450.02234 204.2
[M]+ 429.04712 198.3
[M]- 429.04822 198.3
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.