CID 368250

692-93-3

Structural Information

Molecular Formula
C6H12N2O2S2
SMILES
C(CNC(=O)CS)NC(=O)CS
InChI
InChI=1S/C6H12N2O2S2/c9-5(3-11)7-1-2-8-6(10)4-12/h11-12H,1-4H2,(H,7,9)(H,8,10)
InChIKey
SQPIKOWZWIINCK-UHFFFAOYSA-N
Compound name
2-sulfanyl-N-[2-[(2-sulfanylacetyl)amino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

208.03403 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04131 143.1
[M+Na]+ 231.02325 147.9
[M-H]- 207.02675 142.6
[M+NH4]+ 226.06785 161.4
[M+K]+ 246.99719 144.9
[M+H-H2O]+ 191.03129 136.5
[M+HCOO]- 253.03223 155.5
[M+CH3COO]- 267.04788 188.0
[M+Na-2H]- 229.00870 143.0
[M]+ 208.03348 145.1
[M]- 208.03458 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe