CID 9589230

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

Structural Information

Molecular Formula
C23H16ClN3O
SMILES
C1=CC=C(C=C1)/C=N/N2C(=N/C(=C\C3=CC=CC=C3Cl)/C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H16ClN3O/c24-20-14-8-7-13-19(20)15-21-23(28)27(25-16-17-9-3-1-4-10-17)22(26-21)18-11-5-2-6-12-18/h1-16H/b21-15-,25-16+
InChIKey
QVYJXOUHFPYMSR-ODYMTFIRSA-N
Compound name
(5Z)-3-[(E)-benzylideneamino]-5-[(2-chlorophenyl)methylidene]-2-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.09818 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10546 194.7
[M+Na]+ 408.08740 203.6
[M-H]- 384.09090 205.9
[M+NH4]+ 403.13200 205.8
[M+K]+ 424.06134 194.4
[M+H-H2O]+ 368.09544 182.7
[M+HCOO]- 430.09638 213.5
[M+CH3COO]- 444.11203 204.8
[M+Na-2H]- 406.07285 195.8
[M]+ 385.09763 195.9
[M]- 385.09873 195.9
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.