CID 16076156

6-chloro-n-[(e)-(4-chlorophenyl)methyleneamino]-2-phenyl-quinoline-4-carboxamide

Structural Information

Molecular Formula
C23H15Cl2N3O
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N/N=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H15Cl2N3O/c24-17-8-6-15(7-9-17)14-26-28-23(29)20-13-22(16-4-2-1-3-5-16)27-21-11-10-18(25)12-19(20)21/h1-14H,(H,28,29)/b26-14+
InChIKey
CAXBGHODFOCKMU-VULFUBBASA-N
Compound name
6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.0592 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.06648 198.5
[M+Na]+ 442.04842 207.5
[M-H]- 418.05192 207.7
[M+NH4]+ 437.09302 209.3
[M+K]+ 458.02236 198.7
[M+H-H2O]+ 402.05646 188.0
[M+HCOO]- 464.05740 212.5
[M+CH3COO]- 478.07305 207.8
[M+Na-2H]- 440.03387 203.1
[M]+ 419.05865 202.5
[M]- 419.05975 202.5
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.