CID 44151207

71205-45-3

Structural Information

Molecular Formula
C11H14N2O6S
SMILES
CCOC(=O)NC1=CC(=CC=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C11H14N2O6S/c1-2-19-11(16)13-8-4-3-5-9(6-8)20(17,18)12-7-10(14)15/h3-6,12H,2,7H2,1H3,(H,13,16)(H,14,15)
InChIKey
QPQMKKUCFDFISQ-UHFFFAOYSA-N
Compound name
2-[[3-(ethoxycarbonylamino)phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.05725 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06453 163.4
[M+Na]+ 325.04647 168.4
[M-H]- 301.04997 165.3
[M+NH4]+ 320.09107 176.9
[M+K]+ 341.02041 166.3
[M+H-H2O]+ 285.05451 156.3
[M+HCOO]- 347.05545 180.7
[M+CH3COO]- 361.07110 200.1
[M+Na-2H]- 323.03192 166.5
[M]+ 302.05670 166.7
[M]- 302.05780 166.7
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.