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

13
Patents

231.05653 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.06381 146.4
[M+Na]+ 254.04575 155.2
[M-H]- 230.04925 150.8
[M+NH4]+ 249.09035 164.9
[M+K]+ 270.01969 153.3
[M+H-H2O]+ 214.05379 140.4
[M+HCOO]- 276.05473 166.3
[M+CH3COO]- 290.07038 189.3
[M+Na-2H]- 252.03120 151.4
[M]+ 231.05598 152.2
[M]- 231.05708 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.