CID 9504131

879362-89-7

Structural Information

Molecular Formula
C12H17NO6S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)O)OCC
InChI
InChI=1S/C12H17NO6S/c1-3-18-10-6-5-9(7-11(10)19-4-2)20(16,17)13-8-12(14)15/h5-7,13H,3-4,8H2,1-2H3,(H,14,15)
InChIKey
HPTQKYWBICPVGW-UHFFFAOYSA-N
Compound name
2-[(3,4-diethoxyphenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.07767 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08495 166.7
[M+Na]+ 326.06689 174.6
[M+NH4]+ 321.11149 171.0
[M+K]+ 342.04083 170.0
[M-H]- 302.07039 165.1
[M+Na-2H]- 324.05234 169.0
[M]+ 303.07712 167.4
[M]- 303.07822 167.4
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.