CID 2329095

3-[butyl(phenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C17H19NO4S
SMILES
CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C17H19NO4S/c1-2-3-12-18(15-9-5-4-6-10-15)23(21,22)16-11-7-8-14(13-16)17(19)20/h4-11,13H,2-3,12H2,1H3,(H,19,20)
InChIKey
HHHJPNINPDQBJZ-UHFFFAOYSA-N
Compound name
3-[butyl(phenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

333.1035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11078 175.2
[M+Na]+ 356.09272 186.0
[M+NH4]+ 351.13732 181.4
[M+K]+ 372.06666 179.0
[M-H]- 332.09622 177.7
[M+Na-2H]- 354.07817 182.2
[M]+ 333.10295 177.8
[M]- 333.10405 177.8
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.