CID 3008125

65174-95-0

Structural Information

Molecular Formula
C12H15N5O5
SMILES
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O
InChI
InChI=1S/C12H15N5O5/c1-5(19)21-9-8(20)6(2-18)22-12(9)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,18,20H,2H2,1H3,(H2,13,14,15)/t6-,8-,9+,12-/m1/s1
InChIKey
WEPFJYPAGFIIKF-QRKAXHLRSA-N
Compound name
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

309.10733 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 167.5
[M+Na]+ 332.09655 176.9
[M-H]- 308.10005 169.5
[M+NH4]+ 327.14115 178.6
[M+K]+ 348.07049 174.9
[M+H-H2O]+ 292.10459 159.5
[M+HCOO]- 354.10553 183.7
[M+CH3COO]- 368.12118 201.8
[M+Na-2H]- 330.08200 167.8
[M]+ 309.10678 170.0
[M]- 309.10788 170.0
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.