CID 3055905

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

Structural Information

Molecular Formula
C15H21N4O7PS
SMILES
CC(C)OP(=S)(OC1=C(C(=O)N(N=C1)C)OC)OC2=C(C(=O)N(N=C2)C)OC
InChI
InChI=1S/C15H21N4O7PS/c1-9(2)24-27(28,25-10-7-16-18(3)14(20)12(10)22-5)26-11-8-17-19(4)15(21)13(11)23-6/h7-9H,1-6H3
InChIKey
HSNVPFSPGRCJQP-UHFFFAOYSA-N
Compound name
4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.08685 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09413 196.4
[M+Na]+ 455.07607 207.6
[M+NH4]+ 450.12067 197.9
[M+K]+ 471.05001 203.8
[M-H]- 431.07957 194.3
[M+Na-2H]- 453.06152 199.1
[M]+ 432.08630 197.5
[M]- 432.08740 197.5
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.