CID 3393223

2-(4-acetamidobenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C11H14N2O5S
SMILES
CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C11H14N2O5S/c1-7(11(15)16)13-19(17,18)10-5-3-9(4-6-10)12-8(2)14/h3-7,13H,1-2H3,(H,12,14)(H,15,16)
InChIKey
MICBDQHPLNZBLY-UHFFFAOYSA-N
Compound name
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.06235 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06963 161.6
[M+Na]+ 309.05157 167.9
[M+NH4]+ 304.09617 165.6
[M+K]+ 325.02551 164.8
[M-H]- 285.05507 160.0
[M+Na-2H]- 307.03702 163.9
[M]+ 286.06180 161.9
[M]- 286.06290 161.9
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.