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 191.8
[M+Na]+ 455.07607 201.0
[M-H]- 431.07957 193.6
[M+NH4]+ 450.12067 197.3
[M+K]+ 471.05001 199.2
[M+H-H2O]+ 415.08411 179.7
[M+HCOO]- 477.08505 209.7
[M+CH3COO]- 491.10070 227.6
[M+Na-2H]- 453.06152 190.1
[M]+ 432.08630 204.1
[M]- 432.08740 204.1
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.