CID 65632

Erdosteine

Structural Information

Molecular Formula
C8H11NO4S2
SMILES
C1CSC(=O)C1NC(=O)CSCC(=O)O
InChI
InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKey
QGFORSXNKQLDNO-UHFFFAOYSA-N
Compound name
2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

223
References

4594
Patents

249.01295 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02023 153.9
[M+Na]+ 272.00217 158.9
[M-H]- 248.00567 155.1
[M+NH4]+ 267.04677 171.8
[M+K]+ 287.97611 155.5
[M+H-H2O]+ 232.01021 148.3
[M+HCOO]- 294.01115 164.0
[M+CH3COO]- 308.02680 187.8
[M+Na-2H]- 269.98762 151.0
[M]+ 249.01240 154.5
[M]- 249.01350 154.5
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.