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]+ 366.072216 177.3
[M+Na]+ 388.054158 180.2
[M-H]- 364.057664 173.9
[M+NH4]+ 383.098763 196.6
[M+K]+ 404.028098 177.9
[M+H-H2O]+ 348.062200 165.2
[M+HCOO]- 410.063141 199.5
[M+CH3COO]- 424.078791 215.3
[M+Na-2H]- 386.039606 175.5
[M]+ 365.06439142 187.7
[M]- 365.06548858 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.