CID 513870

640725-73-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

411
Patents

296.1233 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 164.2
[M+Na]+ 319.11252 175.0
[M-H]- 295.11602 165.2
[M+NH4]+ 314.15712 177.1
[M+K]+ 335.08646 171.7
[M+H-H2O]+ 279.12056 157.3
[M+HCOO]- 341.12150 180.4
[M+CH3COO]- 355.13715 174.7
[M+Na-2H]- 317.09797 166.2
[M]+ 296.12275 164.0
[M]- 296.12385 164.0
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.