CID 2823261

N-benzylquinoline-6-carboxamide

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C17H14N2O/c20-17(19-12-13-5-2-1-3-6-13)15-8-9-16-14(11-15)7-4-10-18-16/h1-11H,12H2,(H,19,20)
InChIKey
CDWXGJNNZJGLPE-UHFFFAOYSA-N
Compound name
N-benzylquinoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

262.11063 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 159.0
[M+Na]+ 285.099848 165.8
[M-H]- 261.103354 164.9
[M+NH4]+ 280.144453 174.4
[M+K]+ 301.073788 160.6
[M+H-H2O]+ 245.107890 149.9
[M+HCOO]- 307.108831 181.2
[M+CH3COO]- 321.124481 170.5
[M+Na-2H]- 283.085296 167.4
[M]+ 262.11008142 158.0
[M]- 262.11117858 158.0
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

patents stripe