CID 402911

52776-76-8

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2

InChI

InChI=1S/C12H12N2O2S/c1-10-5-7-11(8-6-10)17(15,16)14-12-4-2-3-9-13-12/h2-9H,1H3,(H,13,14)

InChIKey

QOEDVXAZNHMVLV-UHFFFAOYSA-N

Compound name

4-methyl-N-pyridin-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 25
Patents: 248.06195 Da
Monoisotopic Mass: 1.0
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]+	249.06923	153.0
[M+Na]+	271.05117	166.4
[M+NH4]+	266.09577	161.0
[M+K]+	287.02511	158.0
[M-H]-	247.05467	156.7
[M+Na-2H]-	269.03662	162.3
[M]+	248.06140	156.5
[M]-	248.06250	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe