CID 3042696

60244-56-6

Structural Information

Molecular Formula
C9H15N2O5PS
SMILES
CCOP(=S)(OC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C9H15N2O5PS/c1-5-15-17(18,14-4)16-7-6-10-11(2)9(12)8(7)13-3/h6H,5H2,1-4H3
InChIKey
PYCPQDVNENMJOU-UHFFFAOYSA-N
Compound name
5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0439 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05118 159.2
[M+Na]+ 317.03312 168.6
[M-H]- 293.03662 159.9
[M+NH4]+ 312.07772 173.4
[M+K]+ 333.00706 167.4
[M+H-H2O]+ 277.04116 149.5
[M+HCOO]- 339.04210 181.2
[M+CH3COO]- 353.05775 200.0
[M+Na-2H]- 315.01857 160.0
[M]+ 294.04335 169.3
[M]- 294.04445 169.3
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.