CID 16076159

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

Structural Information

Molecular Formula
C23H14Cl3N3O
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H14Cl3N3O/c24-16-5-1-14(2-6-16)13-27-29-23(30)20-12-22(15-3-7-17(25)8-4-15)28-21-10-9-18(26)11-19(20)21/h1-13H,(H,29,30)/b27-13+
InChIKey
CUIUIQMANMPYBY-UVHMKAGCSA-N
Compound name
6-chloro-2-(4-chlorophenyl)-N-[(E)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

453.02023 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.02751 204.2
[M+Na]+ 476.00945 214.0
[M-H]- 452.01295 212.2
[M+NH4]+ 471.05405 214.1
[M+K]+ 491.98339 205.1
[M+H-H2O]+ 436.01749 194.3
[M+HCOO]- 498.01843 212.8
[M+CH3COO]- 512.03408 212.6
[M+Na-2H]- 473.99490 206.9
[M]+ 453.01968 209.3
[M]- 453.02078 209.3
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.