CID 165868516

(2,6-dimethoxyphenyl)methanesulfonamide

Structural Information

Molecular Formula
C9H13NO4S
SMILES
COC1=C(C(=CC=C1)OC)CS(=O)(=O)N
InChI
InChI=1S/C9H13NO4S/c1-13-8-4-3-5-9(14-2)7(8)6-15(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKey
XKYCQNAPRHOESA-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.05653 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.063806 147.0
[M+Na]+ 254.045748 155.7
[M-H]- 230.049254 150.7
[M+NH4]+ 249.090353 165.1
[M+K]+ 270.019688 153.5
[M+H-H2O]+ 214.053790 140.9
[M+HCOO]- 276.054731 166.1
[M+CH3COO]- 290.070381 188.6
[M+Na-2H]- 252.031196 150.8
[M]+ 231.05598142 151.7
[M]- 231.05707858 151.7
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.