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 156.4
[M+Na]+ 311.00750 162.2
[M-H]- 287.01100 156.7
[M+NH4]+ 306.05210 172.3
[M+K]+ 326.98144 160.2
[M+H-H2O]+ 271.01554 151.5
[M+HCOO]- 333.01648 170.5
[M+CH3COO]- 347.03213 196.5
[M+Na-2H]- 308.99295 159.4
[M]+ 288.01773 163.9
[M]- 288.01883 163.9
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.