CID 3042707

60244-67-9

Structural Information

Molecular Formula
C12H21N2O5PS
SMILES
CC(C)OP(=S)(OC1=C(C(=O)N(N=C1)C)OC)OC(C)C
InChI
InChI=1S/C12H21N2O5PS/c1-8(2)17-20(21,18-9(3)4)19-10-7-13-14(5)12(15)11(10)16-6/h7-9H,1-6H3
InChIKey
KKUYISHLFNPUJT-UHFFFAOYSA-N
Compound name
5-di(propan-2-yloxy)phosphinothioyloxy-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09816 174.4
[M+Na]+ 359.08010 183.4
[M+NH4]+ 354.12470 178.2
[M+K]+ 375.05404 179.4
[M-H]- 335.08360 171.8
[M+Na-2H]- 357.06555 175.9
[M]+ 336.09033 175.1
[M]- 336.09143 175.1
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.