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 168.0
[M+Na]+ 361.04162 176.1
[M-H]- 337.04512 167.8
[M+NH4]+ 356.08622 180.6
[M+K]+ 377.01556 172.3
[M+H-H2O]+ 321.04966 158.0
[M+HCOO]- 383.05060 183.8
[M+CH3COO]- 397.06625 208.1
[M+Na-2H]- 359.02707 165.9
[M]+ 338.05185 177.4
[M]- 338.05295 177.4
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.