CID 731623

75391-97-8

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C13H14N2O2S/c1-11-5-7-13(8-6-11)18(16,17)15-10-12-4-2-3-9-14-12/h2-9,15H,10H2,1H3

InChIKey

UVXVYQURGLFLAJ-UHFFFAOYSA-N

Compound name

4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 16
Patents: 262.0776 Da
Monoisotopic Mass: 1.7
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]+	263.08488	157.1
[M+Na]+	285.06682	165.3
[M-H]-	261.07032	162.8
[M+NH4]+	280.11142	172.5
[M+K]+	301.04076	160.6
[M+H-H2O]+	245.07486	149.2
[M+HCOO]-	307.07580	175.7
[M+CH3COO]-	321.09145	194.3
[M+Na-2H]-	283.05227	163.2
[M]+	262.07705	159.0
[M]-	262.07815	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe