CID 840301

2-chloro-n-(4-methoxyphenyl)nicotinamide

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₂

SMILES

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

InChI

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

InChIKey

NGPGZYZITIPWRZ-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-methoxyphenyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 41
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]+	263.05818	156.1
[M+Na]+	285.04012	171.1
[M+NH4]+	280.08472	164.3
[M+K]+	301.01406	163.5
[M-H]-	261.04362	160.3
[M+Na-2H]-	283.02557	165.6
[M]+	262.05035	159.7
[M]-	262.05145	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe