CID 2466556

3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid

Structural Information

Molecular Formula
C13H17NO5S
SMILES
COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2CCCC2
InChI
InChI=1S/C13H17NO5S/c1-19-11-7-6-9(13(15)16)8-12(11)20(17,18)14-10-4-2-3-5-10/h6-8,10,14H,2-5H2,1H3,(H,15,16)
InChIKey
GWUPJNYEWONPJV-UHFFFAOYSA-N
Compound name
3-(cyclopentylsulfamoyl)-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08273 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09001 165.7
[M+Na]+ 322.07195 171.4
[M-H]- 298.07545 170.9
[M+NH4]+ 317.11655 181.7
[M+K]+ 338.04589 168.6
[M+H-H2O]+ 282.07999 159.6
[M+HCOO]- 344.08093 181.6
[M+CH3COO]- 358.09658 197.5
[M+Na-2H]- 320.05740 166.3
[M]+ 299.08218 166.9
[M]- 299.08328 166.9
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.