CID 3059279

76269-65-3

Structural Information

Molecular Formula
C11H19N2O4PS2
SMILES
CCCSP(=S)(OCC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C11H19N2O4PS2/c1-5-7-20-18(19,16-6-2)17-9-8-12-13(3)11(14)10(9)15-4/h8H,5-7H2,1-4H3
InChIKey
HJTJDCDWWVEEKA-UHFFFAOYSA-N
Compound name
5-[ethoxy(propylsulfanyl)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0524 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.05968 173.5
[M+Na]+ 361.04162 183.1
[M+NH4]+ 356.08622 178.5
[M+K]+ 377.01556 175.2
[M-H]- 337.04512 172.1
[M+Na-2H]- 359.02707 175.3
[M]+ 338.05185 175.2
[M]- 338.05295 175.2
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.