CID 3042701

60244-61-3

Structural Information

Molecular Formula
C11H19N2O5PS
SMILES
CCCOP(=S)(OCC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C11H19N2O5PS/c1-5-7-17-19(20,16-6-2)18-9-8-12-13(3)11(14)10(9)15-4/h8H,5-7H2,1-4H3
InChIKey
PAKLMAMCJOTHSX-UHFFFAOYSA-N
Compound name
5-[ethoxy(propoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.07523 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08251 171.5
[M+Na]+ 345.06445 181.4
[M+NH4]+ 340.10905 175.7
[M+K]+ 361.03839 175.8
[M-H]- 321.06795 169.3
[M+Na-2H]- 343.04990 173.7
[M]+ 322.07468 172.4
[M]- 322.07578 172.4
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.