CID 3116171

313267-77-5

Structural Information

Molecular Formula
C19H23ClN2O2S
SMILES
C1CCN(CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H23ClN2O2S/c20-17-9-11-18(12-10-17)25(23,24)21-15-19(16-7-3-1-4-8-16)22-13-5-2-6-14-22/h1,3-4,7-12,19,21H,2,5-6,13-15H2
InChIKey
MMFSCIJKSNXBJC-UHFFFAOYSA-N
Compound name
4-chloro-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.11688 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12416 185.7
[M+Na]+ 401.10610 189.8
[M-H]- 377.10960 192.5
[M+NH4]+ 396.15070 196.3
[M+K]+ 417.08004 183.1
[M+H-H2O]+ 361.11414 176.9
[M+HCOO]- 423.11508 193.9
[M+CH3COO]- 437.13073 213.7
[M+Na-2H]- 399.09155 187.5
[M]+ 378.11633 184.7
[M]- 378.11743 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.