CID 6447122

71933-31-8

Structural Information

Molecular Formula
C16H20ClN3O2S2
SMILES
C1CCN(CC1)C/C=C/2\CN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3O2S2/c17-13-4-6-15(7-5-13)24(21,22)19-16-18-12-14(23-16)8-11-20-9-2-1-3-10-20/h4-8H,1-3,9-12H2,(H,18,19)/b14-8+
InChIKey
FQVGSQCVVVJNOD-RIYZIHGNSA-N
Compound name
4-chloro-N-[(5E)-5-(2-piperidin-1-ylethylidene)-4H-1,3-thiazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.06854 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07582 187.8
[M+Na]+ 408.05776 194.3
[M-H]- 384.06126 193.9
[M+NH4]+ 403.10236 199.8
[M+K]+ 424.03170 186.7
[M+H-H2O]+ 368.06580 180.6
[M+HCOO]- 430.06674 191.4
[M+CH3COO]- 444.08239 196.0
[M+Na-2H]- 406.04321 186.4
[M]+ 385.06799 186.9
[M]- 385.06909 186.9
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.