CID 6447314

73688-62-7

Structural Information

Molecular Formula
C18H23N3O2S2
SMILES
C1CCN(CC1)C/C=C/CC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C18H23N3O2S2/c22-25(23,20-18-19-11-15-24-18)17-9-7-16(8-10-17)6-2-5-14-21-12-3-1-4-13-21/h2,5,7-11,15H,1,3-4,6,12-14H2,(H,19,20)/b5-2+
InChIKey
OVZIIONOUWPLKB-GORDUTHDSA-N
Compound name
4-[(E)-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

377.12317 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.130446 187.3
[M+Na]+ 400.112388 192.7
[M-H]- 376.115894 193.0
[M+NH4]+ 395.156993 198.4
[M+K]+ 416.086328 185.5
[M+H-H2O]+ 360.120430 178.9
[M+HCOO]- 422.121371 196.3
[M+CH3COO]- 436.137021 211.5
[M+Na-2H]- 398.097836 187.0
[M]+ 377.12262142 186.1
[M]- 377.12371858 186.1
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.