CID 3042365

Brn 0832290

Structural Information

Molecular Formula
C11H19N2O4PS2
SMILES
CCOP(=S)(OC1=C(C(=O)N(N=C1)C)SC)OC(C)C
InChI
InChI=1S/C11H19N2O4PS2/c1-6-15-18(19,16-8(2)3)17-9-7-12-13(4)11(14)10(9)20-5/h7-8H,6H2,1-5H3
InChIKey
VMCJLFRCFPCPTO-UHFFFAOYSA-N
Compound name
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-2-methyl-4-methylsulfanylpyridazin-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 173.1
[M+Na]+ 361.04162 182.3
[M+NH4]+ 356.08622 177.9
[M+K]+ 377.01556 175.2
[M-H]- 337.04512 171.4
[M+Na-2H]- 359.02707 174.6
[M]+ 338.05185 174.6
[M]- 338.05295 174.6
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.