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 168.8
[M+Na]+ 335.10360 173.3
[M-H]- 311.10710 173.4
[M+NH4]+ 330.14820 181.6
[M+K]+ 351.07754 170.9
[M+H-H2O]+ 295.11164 161.1
[M+HCOO]- 357.11258 181.1
[M+CH3COO]- 371.12823 204.9
[M+Na-2H]- 333.08905 169.6
[M]+ 312.11383 168.3
[M]- 312.11493 168.3
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