CID 6913729

Benzenesulfonamide, p-(2-chloro-4-piperidino-2-butenyl)-, hydrochloride

Structural Information

Molecular Formula
C15H21ClN2O2S
SMILES
C1CCN(CC1)C/C=C(/CC2=CC=C(C=C2)S(=O)(=O)N)\Cl
InChI
InChI=1S/C15H21ClN2O2S/c16-14(8-11-18-9-2-1-3-10-18)12-13-4-6-15(7-5-13)21(17,19)20/h4-8H,1-3,9-12H2,(H2,17,19,20)/b14-8-
InChIKey
PLRLHYYBRGKXOZ-ZSOIEALJSA-N
Compound name
4-[(Z)-2-chloro-4-piperidin-1-ylbut-2-enyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10123 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10851 174.4
[M+Na]+ 351.09045 179.2
[M-H]- 327.09395 178.1
[M+NH4]+ 346.13505 187.4
[M+K]+ 367.06439 172.8
[M+H-H2O]+ 311.09849 167.3
[M+HCOO]- 373.09943 182.0
[M+CH3COO]- 387.11508 203.8
[M+Na-2H]- 349.07590 174.4
[M]+ 328.10068 172.7
[M]- 328.10178 172.7
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.