CID 3042368

Phosphorothioic acid, o-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) o,o-dipropyl ester

Structural Information

Molecular Formula
C12H21N2O5PS
SMILES
CCCOP(=S)(OCCC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C12H21N2O5PS/c1-5-7-17-20(21,18-8-6-2)19-10-9-13-14(3)12(15)11(10)16-4/h9H,5-8H2,1-4H3
InChIKey
GQLCFIDCYUDUIV-UHFFFAOYSA-N
Compound name
5-dipropoxyphosphinothioyloxy-4-methoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09088 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.098156 172.8
[M+Na]+ 359.080098 180.8
[M-H]- 335.083604 172.9
[M+NH4]+ 354.124703 185.3
[M+K]+ 375.054038 179.0
[M+H-H2O]+ 319.088140 162.5
[M+HCOO]- 381.089081 193.8
[M+CH3COO]- 395.104731 208.9
[M+Na-2H]- 357.065546 172.2
[M]+ 336.09033142 184.0
[M]- 336.09142858 184.0
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.