CID 67626

O,o-diethyl s-(4,6-dimethyl-2-pyrimidyl) dithiophosphate

Structural Information

Molecular Formula
C10H17N2O2PS2
SMILES
CCOP(=S)(OCC)SC1=NC(=CC(=N1)C)C
InChI
InChI=1S/C10H17N2O2PS2/c1-5-13-15(16,14-6-2)17-10-11-8(3)7-9(4)12-10/h7H,5-6H2,1-4H3
InChIKey
XAXZWQJVIDHWCT-UHFFFAOYSA-N
Compound name
(4,6-dimethylpyrimidin-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.0469 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05418 158.4
[M+Na]+ 315.03612 166.8
[M-H]- 291.03962 158.3
[M+NH4]+ 310.08072 173.0
[M+K]+ 331.01006 162.7
[M+H-H2O]+ 275.04416 148.8
[M+HCOO]- 337.04510 174.1
[M+CH3COO]- 351.06075 200.8
[M+Na-2H]- 313.02157 156.6
[M]+ 292.04635 165.3
[M]- 292.04745 165.3
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

patents stripe