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]+ 300.090006 165.7
[M+Na]+ 322.071948 171.4
[M-H]- 298.075454 170.9
[M+NH4]+ 317.116553 181.7
[M+K]+ 338.045888 168.6
[M+H-H2O]+ 282.079990 159.6
[M+HCOO]- 344.080931 181.6
[M+CH3COO]- 358.096581 197.5
[M+Na-2H]- 320.057396 166.3
[M]+ 299.08218142 166.9
[M]- 299.08327858 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.