CID 16768179

3-(ethylsulfamoyl)-4-methoxybenzoic acid

Structural Information

Molecular Formula
C10H13NO5S
SMILES
CCNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C10H13NO5S/c1-3-11-17(14,15)9-6-7(10(12)13)4-5-8(9)16-2/h4-6,11H,3H2,1-2H3,(H,12,13)
InChIKey
PLOXPMMCRRYOMT-UHFFFAOYSA-N
Compound name
3-(ethylsulfamoyl)-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.05145 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.058726 153.0
[M+Na]+ 282.040668 160.6
[M-H]- 258.044174 155.7
[M+NH4]+ 277.085273 169.2
[M+K]+ 298.014608 158.1
[M+H-H2O]+ 242.048710 147.0
[M+HCOO]- 304.049651 170.3
[M+CH3COO]- 318.065301 192.0
[M+Na-2H]- 280.026116 156.2
[M]+ 259.05090142 157.4
[M]- 259.05199858 157.4
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