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]+ 303.064526 163.4
[M+Na]+ 325.046468 168.4
[M-H]- 301.049974 165.3
[M+NH4]+ 320.091073 176.9
[M+K]+ 341.020408 166.3
[M+H-H2O]+ 285.054510 156.3
[M+HCOO]- 347.055451 180.7
[M+CH3COO]- 361.071101 200.1
[M+Na-2H]- 323.031916 166.5
[M]+ 302.05670142 166.7
[M]- 302.05779858 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.