CID 3042712

60244-82-8

Structural Information

Molecular Formula
C11H20N3O4PS
SMILES
CCOP(=S)(NC(C)C)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C11H20N3O4PS/c1-6-17-19(20,13-8(2)3)18-9-7-12-14(4)11(15)10(9)16-5/h7-8H,6H2,1-5H3,(H,13,20)
InChIKey
TXTYSDAYMHKICP-UHFFFAOYSA-N
Compound name
5-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.09122 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09850 169.4
[M+Na]+ 344.08044 176.8
[M-H]- 320.08394 169.7
[M+NH4]+ 339.12504 182.1
[M+K]+ 360.05438 175.0
[M+H-H2O]+ 304.08848 159.2
[M+HCOO]- 366.08942 190.4
[M+CH3COO]- 380.10507 209.7
[M+Na-2H]- 342.06589 168.5
[M]+ 321.09067 177.4
[M]- 321.09177 177.4
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.