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]+ 378.13045 187.3
[M+Na]+ 400.11239 192.7
[M-H]- 376.11589 193.0
[M+NH4]+ 395.15699 198.4
[M+K]+ 416.08633 185.5
[M+H-H2O]+ 360.12043 178.9
[M+HCOO]- 422.12137 196.3
[M+CH3COO]- 436.13702 211.5
[M+Na-2H]- 398.09784 187.0
[M]+ 377.12262 186.1
[M]- 377.12372 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.