CID 13475765

98623-50-8

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂S

SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2

InChI

InChI=1S/C11H14N2O2S/c1-12-16(14,15)7-5-9-2-3-11-10(8-9)4-6-13-11/h2-4,6,8,12-13H,5,7H2,1H3

InChIKey

PPXMUBLAPJLGNE-UHFFFAOYSA-N

Compound name

2-(1H-indol-5-yl)-N-methylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 238.0776 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]+	239.08488	151.3
[M+Na]+	261.06682	162.2
[M+NH4]+	256.11142	158.9
[M+K]+	277.04076	156.3
[M-H]-	237.07032	152.0
[M+Na-2H]-	259.05227	156.4
[M]+	238.07705	153.4
[M]-	238.07815	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe