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 160.6
[M+Na]+ 309.05157 165.5
[M-H]- 285.05507 162.6
[M+NH4]+ 304.09617 174.7
[M+K]+ 325.02551 163.3
[M+H-H2O]+ 269.05961 153.9
[M+HCOO]- 331.06055 176.6
[M+CH3COO]- 345.07620 199.4
[M+Na-2H]- 307.03702 162.3
[M]+ 286.06180 162.0
[M]- 286.06290 162.0
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.