CID 16076155

N-[(e)-benzylideneamino]-6-chloro-2-phenyl-quinoline-4-carboxamide

Structural Information

Molecular Formula
C23H16ClN3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C23H16ClN3O/c24-18-11-12-21-19(13-18)20(14-22(26-21)17-9-5-2-6-10-17)23(28)27-25-15-16-7-3-1-4-8-16/h1-15H,(H,27,28)/b25-15+
InChIKey
ZSBMZFNDPDGVNZ-MFKUBSTISA-N
Compound name
N-[(E)-benzylideneamino]-6-chloro-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 191.7
[M+Na]+ 408.08740 199.4
[M-H]- 384.09090 201.5
[M+NH4]+ 403.13200 203.0
[M+K]+ 424.06134 191.3
[M+H-H2O]+ 368.09544 180.5
[M+HCOO]- 430.09638 210.8
[M+CH3COO]- 444.11203 201.5
[M+Na-2H]- 406.07285 198.0
[M]+ 385.09763 193.6
[M]- 385.09873 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.