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]+ 260.05873 153.0
[M+Na]+ 282.04067 160.6
[M-H]- 258.04417 155.7
[M+NH4]+ 277.08527 169.2
[M+K]+ 298.01461 158.1
[M+H-H2O]+ 242.04871 147.0
[M+HCOO]- 304.04965 170.3
[M+CH3COO]- 318.06530 192.0
[M+Na-2H]- 280.02612 156.2
[M]+ 259.05090 157.4
[M]- 259.05200 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