CID 206730

28614-65-5

Structural Information

Molecular Formula
C13H31NO4P2S4
SMILES
CCOP(=S)(OCC)SCC(CSP(=S)(OCC)OCC)N(C)C
InChI
InChI=1S/C13H31NO4P2S4/c1-7-15-19(21,16-8-2)23-11-13(14(5)6)12-24-20(22,17-9-3)18-10-4/h13H,7-12H2,1-6H3
InChIKey
WJTVTGFLSKNXMA-UHFFFAOYSA-N
Compound name
1,3-bis(diethoxyphosphinothioylsulfanyl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

455.06113 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.06841 191.9
[M+Na]+ 478.05035 191.7
[M-H]- 454.05385 187.1
[M+NH4]+ 473.09495 200.9
[M+K]+ 494.02429 185.2
[M+H-H2O]+ 438.05839 177.6
[M+HCOO]- 500.05933 200.8
[M+CH3COO]- 514.07498 233.9
[M+Na-2H]- 476.03580 188.1
[M]+ 455.06058 197.1
[M]- 455.06168 197.1
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.