CID 169561

Diethoxon

Structural Information

Molecular Formula
C7H16NO4PS
SMILES
CCOP(=O)(OCC)SCC(=O)NC
InChI
InChI=1S/C7H16NO4PS/c1-4-11-13(10,12-5-2)14-6-7(9)8-3/h4-6H2,1-3H3,(H,8,9)
InChIKey
OJPQLLQKUGGNGM-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylsulfanyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05377 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06105 152.0
[M+Na]+ 264.04299 157.6
[M-H]- 240.04649 151.0
[M+NH4]+ 259.08759 170.2
[M+K]+ 280.01693 157.2
[M+H-H2O]+ 224.05103 143.9
[M+HCOO]- 286.05197 175.3
[M+CH3COO]- 300.06762 192.4
[M+Na-2H]- 262.02844 152.2
[M]+ 241.05322 159.3
[M]- 241.05432 159.3
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

No patent data available for this compound.