CID 4962080

91431-32-2

Structural Information

Molecular Formula
C11H16N2O5S
SMILES
CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)O
InChI
InChI=1S/C11H16N2O5S/c1-13(2)19(17,18)8-3-4-10(12-5-6-14)9(7-8)11(15)16/h3-4,7,12,14H,5-6H2,1-2H3,(H,15,16)
InChIKey
RRUSSPCTEKRTSC-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.078 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08528 161.0
[M+Na]+ 311.06722 166.7
[M-H]- 287.07072 163.2
[M+NH4]+ 306.11182 175.4
[M+K]+ 327.04116 164.6
[M+H-H2O]+ 271.07526 154.2
[M+HCOO]- 333.07620 177.8
[M+CH3COO]- 347.09185 201.3
[M+Na-2H]- 309.05267 163.2
[M]+ 288.07745 164.2
[M]- 288.07855 164.2
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.