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 167.4
[M+Na]+ 361.04162 175.2
[M-H]- 337.04512 167.4
[M+NH4]+ 356.08622 179.9
[M+K]+ 377.01556 171.9
[M+H-H2O]+ 321.04966 157.6
[M+HCOO]- 383.05060 182.2
[M+CH3COO]- 397.06625 208.9
[M+Na-2H]- 359.02707 164.6
[M]+ 338.05185 176.4
[M]- 338.05295 176.4
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.