CID 6912299

P-(2-chloro-4-piperidino-2-butenyl)-n-(2-thiazolyl)benzenesulfonamide hydrochloride

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.09148 193.5
[M+Na]+ 434.07342 198.9
[M-H]- 410.07692 199.4
[M+NH4]+ 429.11802 204.1
[M+K]+ 450.04736 191.2
[M+H-H2O]+ 394.08146 185.9
[M+HCOO]- 456.08240 196.9
[M+CH3COO]- 470.09805 215.8
[M+Na-2H]- 432.05887 192.0
[M]+ 411.08365 193.8
[M]- 411.08475 193.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.