CID 7573734

3-(3,4-dimethoxybenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C11H15NO6S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)O)OC
InChI
InChI=1S/C11H15NO6S/c1-17-9-4-3-8(7-10(9)18-2)19(15,16)12-6-5-11(13)14/h3-4,7,12H,5-6H2,1-2H3,(H,13,14)
InChIKey
PAAMXIJQFGQXJN-UHFFFAOYSA-N
Compound name
3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

289.062 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06928 160.2
[M+Na]+ 312.05122 166.9
[M-H]- 288.05472 162.5
[M+NH4]+ 307.09582 175.0
[M+K]+ 328.02516 164.9
[M+H-H2O]+ 272.05926 153.6
[M+HCOO]- 334.06020 177.3
[M+CH3COO]- 348.07585 197.3
[M+Na-2H]- 310.03667 163.2
[M]+ 289.06145 166.2
[M]- 289.06255 166.2
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

patents stripe