CID 6912299

73688-96-7

Structural Information

Molecular Formula

C₁₈H₂₂ClN₃O₂S₂

SMILES

C1CCN(CC1)C/C=C(/CC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)\Cl

InChI

InChI=1S/C18H22ClN3O2S2/c19-16(8-12-22-10-2-1-3-11-22)14-15-4-6-17(7-5-15)26(23,24)21-18-20-9-13-25-18/h4-9,13H,1-3,10-12,14H2,(H,20,21)/b16-8-

InChIKey

GKGNIXLJMFNZST-PXNMLYILSA-N

Compound name

4-[(Z)-2-chloro-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: 411.0842 Da
Monoisotopic Mass: 2.8
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]+	412.091476	193.5
[M+Na]+	434.073418	198.9
[M-H]-	410.076924	199.4
[M+NH4]+	429.118023	204.1
[M+K]+	450.047358	191.2
[M+H-H2O]+	394.081460	185.9
[M+HCOO]-	456.082401	196.9
[M+CH3COO]-	470.098051	215.8
[M+Na-2H]-	432.058866	192.0
[M]+	411.08365142	193.8
[M]-	411.08474858	193.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.