CID 16076165

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

Structural Information

Molecular Formula
C24H17BrClN3O2
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H17BrClN3O2/c1-31-19-9-4-16(5-10-19)23-13-21(20-12-18(26)8-11-22(20)28-23)24(30)29-27-14-15-2-6-17(25)7-3-15/h2-14H,1H3,(H,29,30)/b27-14+
InChIKey
JSUPSBAAYMOKJR-MZJWZYIUSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

493.01926 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.02654 207.8
[M+Na]+ 516.00848 218.4
[M-H]- 492.01198 219.8
[M+NH4]+ 511.05308 219.1
[M+K]+ 531.98242 204.1
[M+H-H2O]+ 476.01652 203.1
[M+HCOO]- 538.01746 224.1
[M+CH3COO]- 552.03311 218.5
[M+Na-2H]- 513.99393 212.7
[M]+ 493.01871 230.1
[M]- 493.01981 230.1
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.