CID 216832

Brn 2277317

Structural Information

Molecular Formula
C11H24NO3PS2
SMILES
CCCCOP(=S)(OCCCC)SCC(=O)NC
InChI
InChI=1S/C11H24NO3PS2/c1-4-6-8-14-16(17,15-9-7-5-2)18-10-11(13)12-3/h4-10H2,1-3H3,(H,12,13)
InChIKey
KSPQJVWSYFTUCP-UHFFFAOYSA-N
Compound name
2-dibutoxyphosphinothioylsulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09354 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10082 169.7
[M+Na]+ 336.08276 173.1
[M-H]- 312.08626 167.4
[M+NH4]+ 331.12736 184.9
[M+K]+ 352.05670 169.4
[M+H-H2O]+ 296.09080 160.2
[M+HCOO]- 358.09174 185.7
[M+CH3COO]- 372.10739 206.8
[M+Na-2H]- 334.06821 166.2
[M]+ 313.09299 177.0
[M]- 313.09409 177.0
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.