CID 9900805

80791-87-3

Structural Information

Molecular Formula
C11H16N6O4
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)O
InChI
InChI=1S/C11H16N6O4/c1-20-7-6(19)4(2-18)21-10(7)17-3-14-5-8(12)15-11(13)16-9(5)17/h3-4,6-7,10,18-19H,2H2,1H3,(H4,12,13,15,16)/t4-,6-,7-,10-/m1/s1
InChIKey
JLWUWXCKSOIFPS-KQYNXXCUSA-N
Compound name
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

420
Patents

296.1233 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 165.8
[M+Na]+ 319.11252 174.8
[M+NH4]+ 314.15712 169.7
[M+K]+ 335.08646 177.2
[M-H]- 295.11602 166.8
[M+Na-2H]- 317.09797 166.7
[M]+ 296.12275 166.8
[M]- 296.12385 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe