CID 18191179

Mk6-83

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂S₂

SMILES

CC1=CC=C(S1)S(=O)(=O)NC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3

InChIKey

IRGYSXZCDAWOOC-UHFFFAOYSA-N

Compound name

5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 336.09662 Da
Monoisotopic Mass: 3.8
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]+	337.10390	173.5
[M+Na]+	359.08584	183.9
[M+NH4]+	354.13044	181.8
[M+K]+	375.05978	175.5
[M-H]-	335.08934	178.5
[M+Na-2H]-	357.07129	180.7
[M]+	336.09607	177.3
[M]-	336.09717	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe