CID 3006961

2-hydroxymethyl-5-(6-vinyl-purin-9-yl)-tetrahydro-furan-3,4-diol

Structural Information

Molecular Formula
C12H14N4O4
SMILES
C=CC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H14N4O4/c1-2-6-8-11(14-4-13-6)16(5-15-8)12-10(19)9(18)7(3-17)20-12/h2,4-5,7,9-10,12,17-19H,1,3H2/t7-,9-,10-,12-/m1/s1
InChIKey
OWIOGKLJDQSXOJ-UGKPPGOTSA-N
Compound name
(2R,3R,4S,5R)-2-(6-ethenylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10878 162.1
[M+Na]+ 301.09072 172.7
[M-H]- 277.09422 162.9
[M+NH4]+ 296.13532 174.5
[M+K]+ 317.06466 168.8
[M+H-H2O]+ 261.09876 154.6
[M+HCOO]- 323.09970 177.2
[M+CH3COO]- 337.11535 172.9
[M+Na-2H]- 299.07617 162.9
[M]+ 278.10095 163.7
[M]- 278.10205 163.7
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.