CID 9589232

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

Structural Information

Molecular Formula
C23H15Cl2N3O
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3Cl)/C(=O)N2/N=C/C4=CC=CC=C4Cl
InChI
InChI=1S/C23H15Cl2N3O/c24-19-12-6-4-10-17(19)14-21-23(29)28(22(27-21)16-8-2-1-3-9-16)26-15-18-11-5-7-13-20(18)25/h1-15H/b21-14-,26-15+
InChIKey
SIUCTSAUIZGQHV-IKCALLGASA-N
Compound name
(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(E)-(2-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.0592 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.06648 202.7
[M+Na]+ 442.04842 212.8
[M-H]- 418.05192 213.1
[M+NH4]+ 437.09302 213.1
[M+K]+ 458.02236 202.7
[M+H-H2O]+ 402.05646 190.9
[M+HCOO]- 464.05740 216.1
[M+CH3COO]- 478.07305 212.1
[M+Na-2H]- 440.03387 202.0
[M]+ 419.05865 205.7
[M]- 419.05975 205.7
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.