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]+ 269.13182 160.0
[M+Na]+ 291.11376 164.6
[M-H]- 267.11726 163.0
[M+NH4]+ 286.15836 174.2
[M+K]+ 307.08770 159.7
[M+H-H2O]+ 251.12180 152.6
[M+HCOO]- 313.12274 172.8
[M+CH3COO]- 327.13839 192.9
[M+Na-2H]- 289.09921 163.0
[M]+ 268.12399 156.0
[M]- 268.12509 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.