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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12064 153.1
[M+Na]+ 266.10258 168.9
[M+NH4]+ 261.14718 162.1
[M+K]+ 282.07652 162.3
[M-H]- 242.10608 159.1
[M+Na-2H]- 264.08803 163.6
[M]+ 243.11281 157.4
[M]- 243.11391 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.