CID 3068218

Carbanilic acid, p-((1-carboxyethyl)sulfamoyl)-, 1-methyl ester, d-

Structural Information

Molecular Formula
C11H14N2O6S
SMILES
C[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)OC
InChI
InChI=1S/C11H14N2O6S/c1-7(10(14)15)13-20(17,18)9-5-3-8(4-6-9)12-11(16)19-2/h3-7,13H,1-2H3,(H,12,16)(H,14,15)/t7-/m1/s1
InChIKey
INFOPXDCGIEXLW-SSDOTTSWSA-N
Compound name
(2R)-2-[[4-(methoxycarbonylamino)phenyl]sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05725 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06453 164.4
[M+Na]+ 325.04647 170.1
[M+NH4]+ 320.09107 167.8
[M+K]+ 341.02041 167.6
[M-H]- 301.04997 162.2
[M+Na-2H]- 323.03192 166.3
[M]+ 302.05670 164.3
[M]- 302.05780 164.3
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.