CID 485386

(3s,4s,5r)-5-[(6-aminopurin-9-yl)-methoxy-methyl]-4-azido-3-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C12H16N8O4
SMILES
COC([C@H]1[C@@H]([C@@](CO1)(CO)O)N=[N+]=[N-])N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H16N8O4/c1-23-11(7-8(18-19-14)12(22,2-21)3-24-7)20-5-17-6-9(13)15-4-16-10(6)20/h4-5,7-8,11,21-22H,2-3H2,1H3,(H2,13,15,16)/t7-,8+,11?,12+/m1/s1
InChIKey
FYOFNQWZZFDEKZ-AMELEWPZSA-N
Compound name
(3S,4S,5R)-5-[(6-aminopurin-9-yl)-methoxymethyl]-4-azido-3-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.12946 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.13674 166.1
[M+Na]+ 359.11868 173.1
[M-H]- 335.12218 170.6
[M+NH4]+ 354.16328 177.6
[M+K]+ 375.09262 166.9
[M+H-H2O]+ 319.12672 161.4
[M+HCOO]- 381.12766 188.7
[M+CH3COO]- 395.14331 208.2
[M+Na-2H]- 357.10413 175.7
[M]+ 336.12891 165.2
[M]- 336.13001 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.