CID 3049974

Nicotinamide, 2-(p-methoxyanilino)-n-methyl-

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

CNC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H15N3O2/c1-15-14(18)12-4-3-9-16-13(12)17-10-5-7-11(19-2)8-6-10/h3-9H,1-2H3,(H,15,18)(H,16,17)

InChIKey

YVKLLYDPDWCODC-UHFFFAOYSA-N

Compound name

2-(4-methoxyanilino)-N-methylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.11642 Da
Monoisotopic Mass: 2.5
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]+	258.123696	157.7
[M+Na]+	280.105638	164.4
[M-H]-	256.109144	163.4
[M+NH4]+	275.150243	172.5
[M+K]+	296.079578	161.2
[M+H-H2O]+	240.113680	148.8
[M+HCOO]-	302.114621	182.5
[M+CH3COO]-	316.130271	200.4
[M+Na-2H]-	278.091086	164.1
[M]+	257.11587142	158.1
[M]-	257.11696858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.