CID 6445114

P-(2-methyl-4-piperidino-2-butenyl)benzenesulfonamide hydrochloride

Structural Information

Molecular Formula
C16H24N2O2S
SMILES
C/C(=C\CN1CCCCC1)/CC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C16H24N2O2S/c1-14(9-12-18-10-3-2-4-11-18)13-15-5-7-16(8-6-15)21(17,19)20/h5-9H,2-4,10-13H2,1H3,(H2,17,19,20)/b14-9+
InChIKey
HNYBNWTUDIAEIR-NTEUORMPSA-N
Compound name
4-[(E)-2-methyl-4-piperidin-1-ylbut-2-enyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15585 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.16313 172.7
[M+Na]+ 331.14507 176.4
[M-H]- 307.14857 176.1
[M+NH4]+ 326.18967 185.6
[M+K]+ 347.11901 171.4
[M+H-H2O]+ 291.15311 164.6
[M+HCOO]- 353.15405 184.5
[M+CH3COO]- 367.16970 203.1
[M+Na-2H]- 329.13052 172.6
[M]+ 308.15530 169.2
[M]- 308.15640 169.2
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.