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]+ 286.074376 160.4
[M+Na]+ 308.056318 167.6
[M-H]- 284.059824 164.3
[M+NH4]+ 303.100923 176.2
[M+K]+ 324.030258 165.5
[M+H-H2O]+ 268.064360 154.0
[M+HCOO]- 330.065301 177.7
[M+CH3COO]- 344.080951 199.8
[M+Na-2H]- 306.041766 162.1
[M]+ 285.06655142 166.0
[M]- 285.06764858 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.