CID 424093

1-(p-methoxybenzamidomethyl)pyridinium chloride

Structural Information

Molecular Formula

C₁₄H₁₅N₂O₂

SMILES

COC1=CC=C(C=C1)C(=O)NC[N+]2=CC=CC=C2

InChI

InChI=1S/C14H14N2O2/c1-18-13-7-5-12(6-8-13)14(17)15-11-16-9-3-2-4-10-16/h2-10H,11H2,1H3/p+1

InChIKey

KGYXPVKQWFOGCU-UHFFFAOYSA-O

Compound name

4-methoxy-N-(pyridin-1-ium-1-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.11336 Da
Monoisotopic Mass: 2.0
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]+	244.120636	156.2
[M+Na]+	266.102578	162.5
[M-H]-	242.106084	161.7
[M+NH4]+	261.147183	171.3
[M+K]+	282.076518	153.9
[M+H-H2O]+	226.110620	150.2
[M+HCOO]-	288.111561	179.5
[M+CH3COO]-	302.127211	187.2
[M+Na-2H]-	264.088026	165.0
[M]+	243.11281142	155.5
[M]-	243.11390858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.