CID 16076154

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

Structural Information

Molecular Formula
C24H18BrN3O2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H18BrN3O2/c1-30-19-12-8-17(9-13-19)23-14-21(20-4-2-3-5-22(20)27-23)24(29)28-26-15-16-6-10-18(25)11-7-16/h2-15H,1H3,(H,28,29)/b26-15+
InChIKey
WSXWDKGUUCMHAW-CVKSISIWSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-2-(4-methoxyphenyl)quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

459.05823 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.06551 201.8
[M+Na]+ 482.04745 210.5
[M-H]- 458.05095 213.7
[M+NH4]+ 477.09205 213.1
[M+K]+ 498.02139 197.6
[M+H-H2O]+ 442.05549 196.5
[M+HCOO]- 504.05643 222.4
[M+CH3COO]- 518.07208 212.5
[M+Na-2H]- 480.03290 207.8
[M]+ 459.05768 221.3
[M]- 459.05878 221.3
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.