CID 290582

N-methyl-1-phenylmethanesulfonamide

Structural Information

Molecular Formula

C₈H₁₁NO₂S

SMILES

CNS(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C8H11NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

InChIKey

NYLBABUQWKLNCW-UHFFFAOYSA-N

Compound name

N-methyl-1-phenylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 303
Patents: 185.05106 Da
Monoisotopic Mass: 0.5
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]+	186.05834	138.1
[M+Na]+	208.04028	149.2
[M+NH4]+	203.08488	146.3
[M+K]+	224.01422	141.7
[M-H]-	184.04378	139.8
[M+Na-2H]-	206.02573	144.6
[M]+	185.05051	140.5
[M]-	185.05161	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe