CID 2794855

65423-28-1

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O

SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C13H11ClN2O/c14-12-11(7-4-8-15-12)13(17)16-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)

InChIKey

XSXUVPQJEQBSSO-UHFFFAOYSA-N

Compound name

N-benzyl-2-chloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 26
Patents: 246.05598 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.06326	153.3
[M+Na]+	269.04520	168.5
[M+NH4]+	264.08980	162.1
[M+K]+	285.01914	160.1
[M-H]-	245.04870	158.0
[M+Na-2H]-	267.03065	163.5
[M]+	246.05543	157.1
[M]-	246.05653	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe