CID 2920428

4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]aniline

Structural Information

Molecular Formula
C13H20N2O2S
SMILES
CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)N)C
InChI
InChI=1S/C13H20N2O2S/c1-10-4-3-5-11(2)15(10)18(16,17)13-8-6-12(14)7-9-13/h6-11H,3-5,14H2,1-2H3
InChIKey
LOGKPRHLSMFTHZ-UHFFFAOYSA-N
Compound name
4-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
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]+ 269.131816 160.6
[M+Na]+ 291.113758 167.4
[M-H]- 267.117264 165.2
[M+NH4]+ 286.158363 175.8
[M+K]+ 307.087698 163.1
[M+H-H2O]+ 251.121800 153.3
[M+HCOO]- 313.122741 174.1
[M+CH3COO]- 327.138391 197.1
[M+Na-2H]- 289.099206 161.6
[M]+ 268.12399142 158.2
[M]- 268.12508858 158.2
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.