CID 476094

Schembl9491498

Structural Information

Molecular Formula
C12H15N5O3
SMILES
CC(=O)OC[C@@H]1C[C@@H](CO1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C12H15N5O3/c1-7(18)19-4-9-2-8(3-20-9)17-6-16-10-11(13)14-5-15-12(10)17/h5-6,8-9H,2-4H2,1H3,(H2,13,14,15)/t8-,9-/m0/s1
InChIKey
OYTXWBMKLIINSP-IUCAKERBSA-N
Compound name
[(2S,4S)-4-(6-aminopurin-9-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.1175 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12478 160.8
[M+Na]+ 300.10672 170.0
[M-H]- 276.11022 164.5
[M+NH4]+ 295.15132 174.2
[M+K]+ 316.08066 168.2
[M+H-H2O]+ 260.11476 151.7
[M+HCOO]- 322.11570 179.7
[M+CH3COO]- 336.13135 172.2
[M+Na-2H]- 298.09217 162.9
[M]+ 277.11695 163.2
[M]- 277.11805 163.2
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.