CID 6447319

73688-97-8

Structural Information

Molecular Formula

C₁₉H₂₅N₃O₂S₂

SMILES

C/C(=C\CN1CCCCC1)/CC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3

InChI

InChI=1S/C19H25N3O2S2/c1-16(9-13-22-11-3-2-4-12-22)15-17-5-7-18(8-6-17)26(23,24)21-19-20-10-14-25-19/h5-10,14H,2-4,11-13,15H2,1H3,(H,20,21)/b16-9+

InChIKey

MWHNODTWMFTNHL-CXUHLZMHSA-N

Compound name

4-[(E)-2-methyl-4-piperidin-1-ylbut-2-enyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 391.13882 Da
Monoisotopic Mass: 3.0
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]+	392.146096	191.3
[M+Na]+	414.128038	195.7
[M-H]-	390.131544	196.8
[M+NH4]+	409.172643	201.7
[M+K]+	430.101978	188.9
[M+H-H2O]+	374.136080	182.9
[M+HCOO]-	436.137021	198.8
[M+CH3COO]-	450.152671	215.2
[M+Na-2H]-	412.113486	189.7
[M]+	391.13827142	189.9
[M]-	391.13936858	189.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.