CID 18419424

6-chloro-n-(3-methoxyphenyl)nicotinamide

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₂

SMILES

COC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2O2/c1-18-11-4-2-3-10(7-11)16-13(17)9-5-6-12(14)15-8-9/h2-8H,1H3,(H,16,17)

InChIKey

ASXCWGAHQLUQBZ-UHFFFAOYSA-N

Compound name

6-chloro-N-(3-methoxyphenyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 262.0509 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]+	263.058176	155.5
[M+Na]+	285.040118	164.2
[M-H]-	261.043624	161.1
[M+NH4]+	280.084723	171.3
[M+K]+	301.014058	159.6
[M+H-H2O]+	245.048160	147.8
[M+HCOO]-	307.049101	175.0
[M+CH3COO]-	321.064751	196.0
[M+Na-2H]-	283.025566	161.5
[M]+	262.05035142	158.4
[M]-	262.05144858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe