CID 3042704

60244-64-6

Structural Information

Molecular Formula
C12H21N2O5PS
SMILES
CCCOP(=S)(OC1=C(C(=O)N(N=C1)C)OC)OC(C)C
InChI
InChI=1S/C12H21N2O5PS/c1-6-7-17-20(21,18-9(2)3)19-10-8-13-14(4)12(15)11(10)16-5/h8-9H,6-7H2,1-5H3
InChIKey
NMTAELKXPWLADJ-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-5-[propan-2-yloxy(propoxy)phosphinothioyl]oxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09088 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09816 175.1
[M+Na]+ 359.08010 184.5
[M+NH4]+ 354.12470 179.0
[M+K]+ 375.05404 179.5
[M-H]- 335.08360 172.7
[M+Na-2H]- 357.06555 176.9
[M]+ 336.09033 175.9
[M]- 336.09143 175.9
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.