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]+ 303.064526 163.4
[M+Na]+ 325.046468 168.1
[M-H]- 301.049974 165.3
[M+NH4]+ 320.091073 176.7
[M+K]+ 341.020408 166.6
[M+H-H2O]+ 285.054510 156.4
[M+HCOO]- 347.055451 179.6
[M+CH3COO]- 361.071101 201.1
[M+Na-2H]- 323.031916 165.4
[M]+ 302.05670142 166.1
[M]- 302.05779858 166.1
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.