CID 3042697

60244-57-7

Structural Information

Molecular Formula
C10H17N2O5PS
SMILES
CCCOP(=S)(OC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C10H17N2O5PS/c1-5-6-16-18(19,15-4)17-8-7-11-12(2)10(13)9(8)14-3/h7H,5-6H2,1-4H3
InChIKey
AHCNIHIYMJVWRR-UHFFFAOYSA-N
Compound name
4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.05957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06685 167.3
[M+Na]+ 331.04879 177.4
[M+NH4]+ 326.09339 171.7
[M+K]+ 347.02273 172.1
[M-H]- 307.05229 165.2
[M+Na-2H]- 329.03424 169.7
[M]+ 308.05902 168.3
[M]- 308.06012 168.3
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.