CID 3872315

3-[(1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C17H17NO4S
SMILES
C1CC(C2=CC=CC=C2C1)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C17H17NO4S/c19-17(20)13-7-3-8-14(11-13)23(21,22)18-16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11,16,18H,4,6,10H2,(H,19,20)
InChIKey
YNMDTZTUYCWFAX-UHFFFAOYSA-N
Compound name
3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08783 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09511 171.4
[M+Na]+ 354.07705 182.6
[M+NH4]+ 349.12165 178.7
[M+K]+ 370.05099 175.2
[M-H]- 330.08055 174.6
[M+Na-2H]- 352.06250 178.0
[M]+ 331.08728 174.2
[M]- 331.08838 174.2
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.