CID 2493141

786729-13-3

Structural Information

Molecular Formula
C12H15NO5S
SMILES
CN(C)S(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)O)OC
InChI
InChI=1S/C12H15NO5S/c1-13(2)19(16,17)11-8-9(5-7-12(14)15)4-6-10(11)18-3/h4-8H,1-3H3,(H,14,15)/b7-5+
InChIKey
BCKFXBHZZGRKQZ-FNORWQNLSA-N
Compound name
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.0671 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 163.0
[M+Na]+ 308.05632 171.7
[M+NH4]+ 303.10092 167.9
[M+K]+ 324.03026 166.9
[M-H]- 284.05982 162.0
[M+Na-2H]- 306.04177 165.9
[M]+ 285.06655 164.0
[M]- 285.06765 164.0
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.