CID 20120197

4-methyl-n-(piperidin-3-ylmethyl)benzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCNC2
InChI
InChI=1S/C13H20N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12/h4-7,12,14-15H,2-3,8-10H2,1H3
InChIKey
GBCVMVUEBVZOSD-UHFFFAOYSA-N
Compound name
4-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.12454 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.131816 160.0
[M+Na]+ 291.113758 164.6
[M-H]- 267.117264 163.0
[M+NH4]+ 286.158363 174.2
[M+K]+ 307.087698 159.7
[M+H-H2O]+ 251.121800 152.6
[M+HCOO]- 313.122741 172.8
[M+CH3COO]- 327.138391 192.9
[M+Na-2H]- 289.099206 163.0
[M]+ 268.12399142 156.0
[M]- 268.12508858 156.0
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.