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]+ 232.06381 147.0
[M+Na]+ 254.04575 155.7
[M-H]- 230.04925 150.7
[M+NH4]+ 249.09035 165.1
[M+K]+ 270.01969 153.5
[M+H-H2O]+ 214.05379 140.9
[M+HCOO]- 276.05473 166.1
[M+CH3COO]- 290.07038 188.6
[M+Na-2H]- 252.03120 150.8
[M]+ 231.05598 151.7
[M]- 231.05708 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.