CID 465414

6-meo purine deriv.

Structural Information

Molecular Formula
C12H16N4O4
SMILES
COC1=NC=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)CO
InChI
InChI=1S/C12H16N4O4/c1-19-12-10-11(13-5-14-12)16(6-15-10)9-2-7(3-17)8(4-18)20-9/h5-9,17-18H,2-4H2,1H3/t7-,8-,9-/m1/s1
InChIKey
DYMGXRFWIDRWDI-IWSPIJDZSA-N
Compound name
[(2S,3R,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.11716 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.12444 161.1
[M+Na]+ 303.10638 170.9
[M-H]- 279.10988 162.7
[M+NH4]+ 298.15098 173.9
[M+K]+ 319.08032 168.5
[M+H-H2O]+ 263.11442 152.9
[M+HCOO]- 325.11536 177.5
[M+CH3COO]- 339.13101 172.2
[M+Na-2H]- 301.09183 163.1
[M]+ 280.11661 164.7
[M]- 280.11771 164.7
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.