CID 492555

3-[(2r,3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione

Structural Information

Molecular Formula
C11H14N4O6
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C(=O)NNC3=O)CO)O
InChI
InChI=1S/C11H14N4O6/c1-20-8-7(17)4(2-16)21-11(8)15-3-12-5-6(15)10(19)14-13-9(5)18/h3-4,7-8,11,16-17H,2H2,1H3,(H,13,18)(H,14,19)/t4-,7-,8-,11-/m1/s1
InChIKey
SFMJBSIIVRJBCC-TZQXKBMNSA-N
Compound name
3-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

298.09134 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09862 163.2
[M+Na]+ 321.08056 174.3
[M-H]- 297.08406 163.3
[M+NH4]+ 316.12516 174.1
[M+K]+ 337.05450 170.6
[M+H-H2O]+ 281.08860 156.3
[M+HCOO]- 343.08954 177.5
[M+CH3COO]- 357.10519 192.7
[M+Na-2H]- 319.06601 163.7
[M]+ 298.09079 165.2
[M]- 298.09189 165.2
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.