CID 161357

Phosphorothioic acid, o-(1,2-dihydro-1,6-dimethyl-2-oxo-4-pyridinyl) o,o-diethyl ester

Structural Information

Molecular Formula
C11H18NO4PS
SMILES
CCOP(=S)(OCC)OC1=CC(=O)N(C(=C1)C)C
InChI
InChI=1S/C11H18NO4PS/c1-5-14-17(18,15-6-2)16-10-7-9(3)12(4)11(13)8-10/h7-8H,5-6H2,1-4H3
InChIKey
ORTBUFDZRIXVTA-UHFFFAOYSA-N
Compound name
4-diethoxyphosphinothioyloxy-1,6-dimethylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.06943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07671 164.2
[M+Na]+ 314.05865 174.9
[M+NH4]+ 309.10325 169.9
[M+K]+ 330.03259 168.5
[M-H]- 290.06215 163.4
[M+Na-2H]- 312.04410 167.4
[M]+ 291.06888 165.8
[M]- 291.06998 165.8
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.