CID 164305

130714-47-5

Structural Information

Molecular Formula
C17H25N5O4
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NC4CCCCC4)CO)O
InChI
InChI=1S/C17H25N5O4/c1-25-14-13(24)11(7-23)26-17(14)22-9-20-12-15(18-8-19-16(12)22)21-10-5-3-2-4-6-10/h8-11,13-14,17,23-24H,2-7H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/m1/s1
InChIKey
JAKAFSGZUXCHLF-LSCFUAHRSA-N
Compound name
(2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

18
References

658
Patents

363.19064 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19792 185.5
[M+Na]+ 386.17986 195.0
[M+NH4]+ 381.22446 190.3
[M+K]+ 402.15380 195.1
[M-H]- 362.18336 188.6
[M+Na-2H]- 384.16531 187.8
[M]+ 363.19009 187.2
[M]- 363.19119 187.2
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

patents stripe