CID 2737722

86658-78-8

Structural Information

Molecular Formula

C₁₇H₁₈N₂O₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-11-10-14-12-18-17-5-3-2-4-16(14)17/h2-9,12,18-19H,10-11H2,1H3

InChIKey

VPIUVBLEDIDJQZ-UHFFFAOYSA-N

Compound name

N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 25
Patents: 314.1089 Da
Monoisotopic Mass: 3.5
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]+	315.11618	171.6
[M+Na]+	337.09812	184.7
[M+NH4]+	332.14272	179.5
[M+K]+	353.07206	177.1
[M-H]-	313.10162	175.1
[M+Na-2H]-	335.08357	179.3
[M]+	314.10835	175.0
[M]-	314.10945	175.0

Literature stripe

literature stripe

Patent stripe

patents stripe