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]+ 337.09816 172.8
[M+Na]+ 359.08010 180.8
[M-H]- 335.08360 172.9
[M+NH4]+ 354.12470 185.3
[M+K]+ 375.05404 179.0
[M+H-H2O]+ 319.08814 162.5
[M+HCOO]- 381.08908 193.8
[M+CH3COO]- 395.10473 208.9
[M+Na-2H]- 357.06555 172.2
[M]+ 336.09033 184.0
[M]- 336.09143 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.