CID 2956918

554423-28-8

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C13H20N2O2S/c1-10-7-11(2)9-15(8-10)18(16,17)13-5-3-12(14)4-6-13/h3-6,10-11H,7-9,14H2,1-2H3
InChIKey
CRYNHMDLCOBJQA-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.12454 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13182 160.6
[M+Na]+ 291.11376 171.4
[M+NH4]+ 286.15836 168.1
[M+K]+ 307.08770 164.1
[M-H]- 267.11726 163.5
[M+Na-2H]- 289.09921 166.1
[M]+ 268.12399 163.3
[M]- 268.12509 163.3
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.