CID 21151905

60244-63-5

Structural Information

Molecular Formula
C12H21N2O6P
SMILES
CCCOP(=O)(OCCC)OC1=C(C(=O)N(N=C1)C)OC
InChI
InChI=1S/C12H21N2O6P/c1-5-7-18-21(16,19-8-6-2)20-10-9-13-14(3)12(15)11(10)17-4/h9H,5-8H2,1-4H3
InChIKey
FCOOVQDGAWLLED-UHFFFAOYSA-N
Compound name
(5-methoxy-1-methyl-6-oxopyridazin-4-yl) dipropyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1137 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12098 170.9
[M+Na]+ 343.10292 179.1
[M-H]- 319.10642 170.9
[M+NH4]+ 338.14752 183.4
[M+K]+ 359.07686 179.0
[M+H-H2O]+ 303.11096 160.5
[M+HCOO]- 365.11190 196.7
[M+CH3COO]- 379.12755 207.5
[M+Na-2H]- 341.08837 173.1
[M]+ 320.11315 181.8
[M]- 320.11425 181.8
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.