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 171.4
[M+Na]+ 359.08010 178.8
[M-H]- 335.08360 171.7
[M+NH4]+ 354.12470 183.8
[M+K]+ 375.05404 178.1
[M+H-H2O]+ 319.08814 161.5
[M+HCOO]- 381.08908 190.4
[M+CH3COO]- 395.10473 210.5
[M+Na-2H]- 357.06555 168.9
[M]+ 336.09033 181.5
[M]- 336.09143 181.5
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.