CID 16076161

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

Structural Information

Molecular Formula
C23H15BrClN3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Br
InChI
InChI=1S/C23H15BrClN3O/c24-17-8-6-16(7-9-17)22-13-20(19-12-18(25)10-11-21(19)27-22)23(29)28-26-14-15-4-2-1-3-5-15/h1-14H,(H,28,29)/b26-14+
InChIKey
GQCOAWFABXRSBE-VULFUBBASA-N
Compound name
N-[(E)-benzylideneamino]-2-(4-bromophenyl)-6-chloroquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.0087 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.01598 200.5
[M+Na]+ 485.99792 211.1
[M-H]- 462.00142 212.4
[M+NH4]+ 481.04252 212.9
[M+K]+ 501.97186 196.1
[M+H-H2O]+ 446.00596 196.2
[M+HCOO]- 508.00690 217.1
[M+CH3COO]- 522.02255 211.6
[M+Na-2H]- 483.98337 206.6
[M]+ 463.00815 221.0
[M]- 463.00925 221.0
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.