CID 3071323

Brn 5559410

Structural Information

Molecular Formula
C7H13ClN2O6S
SMILES
CCOC(=O)CNS(=O)(=O)NC(=O)OCCCl
InChI
InChI=1S/C7H13ClN2O6S/c1-2-15-6(11)5-9-17(13,14)10-7(12)16-4-3-8/h9H,2-5H2,1H3,(H,10,12)
InChIKey
METPKNYPOAIABU-UHFFFAOYSA-N
Compound name
ethyl 2-(2-chloroethoxycarbonylsulfamoylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01828 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.02556 160.2
[M+Na]+ 311.00750 165.1
[M+NH4]+ 306.05210 163.7
[M+K]+ 326.98144 161.7
[M-H]- 287.01100 156.0
[M+Na-2H]- 308.99295 159.7
[M]+ 288.01773 159.7
[M]- 288.01883 159.7
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.