CID 3066081

Brn 0351694

Structural Information

Molecular Formula
C13H14N2O8S
SMILES
C1OC(=O)C(O1)(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)O
InChI
InChI=1S/C13H14N2O8S/c14-24(20,21)9-3-1-8(2-4-9)15-10(16)5-13(6-11(17)18)12(19)22-7-23-13/h1-4H,5-7H2,(H,15,16)(H,17,18)(H2,14,20,21)
InChIKey
SSCBDXSGZUYGCU-UHFFFAOYSA-N
Compound name
2-[5-oxo-4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-dioxolan-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0471 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05438 175.1
[M+Na]+ 381.03632 180.2
[M-H]- 357.03982 181.1
[M+NH4]+ 376.08092 186.8
[M+K]+ 397.01026 180.6
[M+H-H2O]+ 341.04436 169.8
[M+HCOO]- 403.04530 189.5
[M+CH3COO]- 417.06095 208.7
[M+Na-2H]- 379.02177 179.0
[M]+ 358.04655 178.3
[M]- 358.04765 178.3
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.