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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14610 187.3
[M+Na]+ 414.12804 196.2
[M+NH4]+ 409.17264 193.8
[M+K]+ 430.10198 188.1
[M-H]- 390.13154 190.8
[M+Na-2H]- 412.11349 193.4
[M]+ 391.13827 190.3
[M]- 391.13937 190.3
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.