CID 90127

23497-21-4

Structural Information

Molecular Formula
C10H25NO5P2S2
SMILES
CCOP(=O)(NCCSP(=S)(OCC)OCC)OCC
InChI
InChI=1S/C10H25NO5P2S2/c1-5-13-17(12,14-6-2)11-9-10-20-18(19,15-7-3)16-8-4/h5-10H2,1-4H3,(H,11,12)
InChIKey
WWFNFWZMQWQLJJ-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylsulfanyl-N-diethoxyphosphorylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.06494 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07222 177.3
[M+Na]+ 388.05416 180.2
[M-H]- 364.05766 173.9
[M+NH4]+ 383.09876 196.6
[M+K]+ 404.02810 177.9
[M+H-H2O]+ 348.06220 165.2
[M+HCOO]- 410.06314 199.5
[M+CH3COO]- 424.07879 215.3
[M+Na-2H]- 386.03961 175.5
[M]+ 365.06439 187.7
[M]- 365.06549 187.7
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.