CID 3011152

Schembl9141461

Structural Information

Molecular Formula
C12H16N4O5
SMILES
CCOC1=NC=NC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H16N4O5/c1-2-20-11-7-10(13-4-14-11)16(5-15-7)12-9(19)8(18)6(3-17)21-12/h4-6,8-9,12,17-19H,2-3H2,1H3/t6-,8-,9+,12-/m1/s1
InChIKey
CUNVIHYAFKSFPJ-QRKAXHLRSA-N
Compound name
(2R,3S,4S,5R)-2-(6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

296.11206 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11934 164.5
[M+Na]+ 319.10128 174.5
[M-H]- 295.10478 165.3
[M+NH4]+ 314.14588 176.1
[M+K]+ 335.07522 172.0
[M+H-H2O]+ 279.10932 156.8
[M+HCOO]- 341.11026 179.6
[M+CH3COO]- 355.12591 195.0
[M+Na-2H]- 317.08673 165.6
[M]+ 296.11151 168.2
[M]- 296.11261 168.2
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.