CID 2531882

5-(dimethylsulfamoyl)-2-(piperidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)O
InChI
InChI=1S/C14H20N2O4S/c1-15(2)21(19,20)11-6-7-13(12(10-11)14(17)18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,18)
InChIKey
ATFRGLNGURZGBY-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

312.11438 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 168.3
[M+Na]+ 335.10360 177.1
[M+NH4]+ 330.14820 174.0
[M+K]+ 351.07754 171.9
[M-H]- 311.10710 169.6
[M+Na-2H]- 333.08905 172.9
[M]+ 312.11383 170.0
[M]- 312.11493 170.0
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

patents stripe