CID 16076158

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

Structural Information

Molecular Formula
C24H18ClN3O
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C24H18ClN3O/c1-16-7-9-18(10-8-16)23-14-21(20-13-19(25)11-12-22(20)27-23)24(29)28-26-15-17-5-3-2-4-6-17/h2-15H,1H3,(H,28,29)/b26-15+
InChIKey
XFYYEDKOKGNHLK-CVKSISIWSA-N
Compound name
N-[(E)-benzylideneamino]-6-chloro-2-(4-methylphenyl)quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.11383 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12111 197.1
[M+Na]+ 422.10305 205.3
[M-H]- 398.10655 207.1
[M+NH4]+ 417.14765 208.1
[M+K]+ 438.07699 197.0
[M+H-H2O]+ 382.11109 185.9
[M+HCOO]- 444.11203 215.9
[M+CH3COO]- 458.12768 206.8
[M+Na-2H]- 420.08850 202.0
[M]+ 399.11328 199.7
[M]- 399.11438 199.7
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.