CID 9589219

4-benzylidene-1-((o-bromobenzylidene)amino)-2-phenyl-2-imidazolin-5-one

Structural Information

Molecular Formula
C23H16BrN3O
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)C3=CC=CC=C3)/N=C/C4=CC=CC=C4Br
InChI
InChI=1S/C23H16BrN3O/c24-20-14-8-7-13-19(20)16-25-27-22(18-11-5-2-6-12-18)26-21(23(27)28)15-17-9-3-1-4-10-17/h1-16H/b21-15-,25-16+
InChIKey
OXGSOOQSBBRDLF-ODYMTFIRSA-N
Compound name
(5Z)-5-benzylidene-3-[(E)-(2-bromophenyl)methylideneamino]-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 195.8
[M+Na]+ 452.03689 206.2
[M-H]- 428.04039 209.2
[M+NH4]+ 447.08149 208.3
[M+K]+ 468.01083 191.9
[M+H-H2O]+ 412.04493 191.3
[M+HCOO]- 474.04587 216.9
[M+CH3COO]- 488.06152 207.5
[M+Na-2H]- 450.02234 198.5
[M]+ 429.04712 213.3
[M]- 429.04822 213.3
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.