CID 16226880

875156-71-1

Structural Information

Molecular Formula
C10H17ClN2O4S
SMILES
CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)CCl
InChI
InChI=1S/C10H17ClN2O4S/c1-2-13(10(15)5-11)6-9(14)12-8-3-4-18(16,17)7-8/h8H,2-7H2,1H3,(H,12,14)
InChIKey
LRQJYPWDRMIEDJ-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05975 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06703 163.2
[M+Na]+ 319.04897 169.0
[M-H]- 295.05247 167.8
[M+NH4]+ 314.09357 183.3
[M+K]+ 335.02291 166.8
[M+H-H2O]+ 279.05701 159.1
[M+HCOO]- 341.05795 177.3
[M+CH3COO]- 355.07360 201.8
[M+Na-2H]- 317.03442 162.7
[M]+ 296.05920 167.5
[M]- 296.06030 167.5
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.