CID 44191096

Vu 0361737

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₂

SMILES

COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)Cl

InChI

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

InChIKey

ARYUXFNGXHNNDM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 73
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	155.5
[M+Na]+	285.04012	164.2
[M-H]-	261.04362	161.1
[M+NH4]+	280.08472	171.3
[M+K]+	301.01406	159.6
[M+H-H2O]+	245.04816	147.8
[M+HCOO]-	307.04910	175.0
[M+CH3COO]-	321.06475	196.0
[M+Na-2H]-	283.02557	161.5
[M]+	262.05035	158.4
[M]-	262.05145	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe