CID 216825

Brn 2271367

Structural Information

Molecular Formula
C9H20NO3PS2
SMILES
CCCNC(=O)CSP(=S)(OCC)OCC
InChI
InChI=1S/C9H20NO3PS2/c1-4-7-10-9(11)8-16-14(15,12-5-2)13-6-3/h4-8H2,1-3H3,(H,10,11)
InChIKey
FHPIIZPEKVSEKJ-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylsulfanyl-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.06223 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.06951 162.7
[M+Na]+ 308.05145 168.0
[M+NH4]+ 303.09605 168.3
[M+K]+ 324.02539 160.7
[M-H]- 284.05495 160.4
[M+Na-2H]- 306.03690 162.2
[M]+ 285.06168 163.3
[M]- 285.06278 163.3
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.