CID 2492687

3-dimethylsulfamoyl-4-methoxy-benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.05145 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05873 152.2
[M+Na]+ 282.04067 159.9
[M-H]- 258.04417 156.4
[M+NH4]+ 277.08527 169.1
[M+K]+ 298.01461 159.0
[M+H-H2O]+ 242.04871 146.1
[M+HCOO]- 304.04965 170.0
[M+CH3COO]- 318.06530 195.4
[M+Na-2H]- 280.02612 154.8
[M]+ 259.05090 157.9
[M]- 259.05200 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.