CID 768903

2,5-dimethoxy-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H13NO4S
SMILES
CNS(=O)(=O)C1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C9H13NO4S/c1-10-15(11,12)9-6-7(13-2)4-5-8(9)14-3/h4-6,10H,1-3H3
InChIKey
DBFYCPPMAVPSBV-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

231.05653 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.063806 146.4
[M+Na]+ 254.045748 155.2
[M-H]- 230.049254 150.8
[M+NH4]+ 249.090353 164.9
[M+K]+ 270.019688 153.3
[M+H-H2O]+ 214.053790 140.4
[M+HCOO]- 276.054731 166.3
[M+CH3COO]- 290.070381 189.3
[M+Na-2H]- 252.031196 151.4
[M]+ 231.05598142 152.2
[M]- 231.05707858 152.2
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

patents stripe