CID 21151906

60244-66-8

Structural Information

Molecular Formula
C12H21N2O6P
SMILES
CC(C)OP(=O)(OC1=C(C(=O)N(N=C1)C)OC)OC(C)C
InChI
InChI=1S/C12H21N2O6P/c1-8(2)18-21(16,19-9(3)4)20-10-7-13-14(5)12(15)11(10)17-6/h7-9H,1-6H3
InChIKey
WHADGNQZMYSIDW-UHFFFAOYSA-N
Compound name
(5-methoxy-1-methyl-6-oxopyridazin-4-yl) dipropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1137 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12098 169.3
[M+Na]+ 343.10292 177.1
[M-H]- 319.10642 169.7
[M+NH4]+ 338.14752 181.9
[M+K]+ 359.07686 178.2
[M+H-H2O]+ 303.11096 159.5
[M+HCOO]- 365.11190 193.4
[M+CH3COO]- 379.12755 209.1
[M+Na-2H]- 341.08837 169.5
[M]+ 320.11315 179.2
[M]- 320.11425 179.2
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.