CID 16768026

3-[(2-methoxyethyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C10H13NO5S
SMILES
COCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H13NO5S/c1-16-6-5-11-17(14,15)9-4-2-3-8(7-9)10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13)
InChIKey
ZLTKOTHXCBWNHJ-UHFFFAOYSA-N
Compound name
3-(2-methoxyethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

259.05145 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.058726 153.6
[M+Na]+ 282.040668 160.3
[M-H]- 258.044174 155.9
[M+NH4]+ 277.085273 169.5
[M+K]+ 298.014608 157.8
[M+H-H2O]+ 242.048710 147.3
[M+HCOO]- 304.049651 170.9
[M+CH3COO]- 318.065301 190.8
[M+Na-2H]- 280.026116 157.4
[M]+ 259.05090142 157.5
[M]- 259.05199858 157.5
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

patents stripe