CID 3011745

[(2s,5r)-5-(6-amino-8-vinyl-purin-9-yl)tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C12H15N5O2
SMILES
C=CC1=NC2=C(N=CN=C2N1[C@H]3CC[C@H](O3)CO)N
InChI
InChI=1S/C12H15N5O2/c1-2-8-16-10-11(13)14-6-15-12(10)17(8)9-4-3-7(5-18)19-9/h2,6-7,9,18H,1,3-5H2,(H2,13,14,15)/t7-,9+/m0/s1
InChIKey
IRFWZZVZQAJGLV-IONNQARKSA-N
Compound name
[(2S,5R)-5-(6-amino-8-ethenylpurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.1226 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 159.2
[M+Na]+ 284.11182 169.4
[M-H]- 260.11532 161.7
[M+NH4]+ 279.15642 173.0
[M+K]+ 300.08576 165.5
[M+H-H2O]+ 244.11986 150.6
[M+HCOO]- 306.12080 177.4
[M+CH3COO]- 320.13645 170.5
[M+Na-2H]- 282.09727 161.1
[M]+ 261.12205 159.5
[M]- 261.12315 159.5
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.