CID 2493141

(2e)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]prop-2-enoic acid

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 160.4
[M+Na]+ 308.05632 167.6
[M-H]- 284.05982 164.3
[M+NH4]+ 303.10092 176.2
[M+K]+ 324.03026 165.5
[M+H-H2O]+ 268.06436 154.0
[M+HCOO]- 330.06530 177.7
[M+CH3COO]- 344.08095 199.8
[M+Na-2H]- 306.04177 162.1
[M]+ 285.06655 166.0
[M]- 285.06765 166.0
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.