CID 89130

O-methyl s-(o',o'-diethylphosphoramido)ethyl phenylphosphonothioate

Structural Information

Molecular Formula
C13H23NO5P2S
SMILES
CCOP(=O)(NCCSP(=O)(C1=CC=CC=C1)OC)OCC
InChI
InChI=1S/C13H23NO5P2S/c1-4-18-21(16,19-5-2)14-11-12-22-20(15,17-3)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,14,16)
InChIKey
AEKIKDHIRXZBAA-UHFFFAOYSA-N
Compound name
N-diethoxyphosphoryl-2-[methoxy(phenyl)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0772 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08448 181.1
[M+Na]+ 390.06642 187.5
[M+NH4]+ 385.11102 185.3
[M+K]+ 406.04036 182.3
[M-H]- 366.06992 179.4
[M+Na-2H]- 388.05187 183.5
[M]+ 367.07665 181.5
[M]- 367.07775 181.5
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.