CID 5273505

848750-87-8

Structural Information

Molecular Formula
C13H18N4O5
SMILES
CCOC1=NC=NC2=C1N=CN2[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)O
InChI
InChI=1S/C13H18N4O5/c1-3-21-11-8-10(14-5-15-11)17(6-16-8)12-13(2,20)9(19)7(4-18)22-12/h5-7,9,12,18-20H,3-4H2,1-2H3/t7-,9-,12-,13-/m1/s1
InChIKey
HBAKHTMGTWMKKL-NHULRPGXSA-N
Compound name
(2R,3R,4R,5R)-2-(6-ethoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.12772 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13500 167.5
[M+Na]+ 333.11694 178.0
[M-H]- 309.12044 168.4
[M+NH4]+ 328.16154 180.6
[M+K]+ 349.09088 175.6
[M+H-H2O]+ 293.12498 160.3
[M+HCOO]- 355.12592 182.3
[M+CH3COO]- 369.14157 197.5
[M+Na-2H]- 331.10239 169.6
[M]+ 310.12717 171.9
[M]- 310.12827 171.9
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

No patent data available for this compound.