CID 2713392

6-chloro-n-(2,4-dimethoxyphenyl)nicotinamide

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O₃

SMILES

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

InChI

InChI=1S/C14H13ClN2O3/c1-19-10-4-5-11(12(7-10)20-2)17-14(18)9-3-6-13(15)16-8-9/h3-8H,1-2H3,(H,17,18)

InChIKey

IYHABNQNOJTSNS-UHFFFAOYSA-N

Compound name

6-chloro-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 292.06146 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]+	293.068736	162.8
[M+Na]+	315.050678	171.9
[M-H]-	291.054184	168.6
[M+NH4]+	310.095283	177.6
[M+K]+	331.024618	167.7
[M+H-H2O]+	275.058720	154.9
[M+HCOO]-	337.059661	182.1
[M+CH3COO]-	351.075311	202.3
[M+Na-2H]-	313.036126	167.6
[M]+	292.06091142	167.9
[M]-	292.06200858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe