CID 41031

N-(3,4-dimethylphenyl) isonicotinamide hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=NC=C2)C

InChI

InChI=1S/C14H14N2O/c1-10-3-4-13(9-11(10)2)16-14(17)12-5-7-15-8-6-12/h3-9H,1-2H3,(H,16,17)

InChIKey

XZMUKYDKWANYBX-UHFFFAOYSA-N

Compound name

N-(3,4-dimethylphenyl)pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 226.11061 Da
Monoisotopic Mass: 2.7
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]+	227.11789	151.6
[M+Na]+	249.09983	166.1
[M+NH4]+	244.14443	160.0
[M+K]+	265.07377	158.6
[M-H]-	225.10333	156.3
[M+Na-2H]-	247.08528	161.3
[M]+	226.11006	155.1
[M]-	226.11116	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe