CID 492556

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

Structural Information

Molecular Formula
C10H12N4O6
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)NNC2=O
InChI
InChI=1S/C10H12N4O6/c15-1-3-6(16)7(17)10(20-3)14-2-11-4-5(14)9(19)13-12-8(4)18/h2-3,6-7,10,15-17H,1H2,(H,12,18)(H,13,19)/t3-,6-,7-,10-/m1/s1
InChIKey
LYUXBSXOPLKSIU-KAFVXXCXSA-N
Compound name
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07568 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08296 159.7
[M+Na]+ 307.06490 170.8
[M-H]- 283.06840 158.7
[M+NH4]+ 302.10950 170.5
[M+K]+ 323.03884 166.6
[M+H-H2O]+ 267.07294 153.1
[M+HCOO]- 329.07388 172.8
[M+CH3COO]- 343.08953 170.0
[M+Na-2H]- 305.05035 160.3
[M]+ 284.07513 159.7
[M]- 284.07623 159.7
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.