CID 189898

8-vinyladenosine

Structural Information

Molecular Formula
C12H15N5O4
SMILES
C=CC1=NC2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C12H15N5O4/c1-2-6-16-7-10(13)14-4-15-11(7)17(6)12-9(20)8(19)5(3-18)21-12/h2,4-5,8-9,12,18-20H,1,3H2,(H2,13,14,15)/t5-,8-,9-,12-/m1/s1
InChIKey
XWDWYGMKPANXOO-JJNLEZRASA-N
Compound name
(2R,3R,4S,5R)-2-(6-amino-8-ethenylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

293.1124 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11968 166.8
[M+Na]+ 316.10162 177.3
[M-H]- 292.10512 167.6
[M+NH4]+ 311.14622 178.2
[M+K]+ 332.07556 173.1
[M+H-H2O]+ 276.10966 159.2
[M+HCOO]- 338.11060 182.2
[M+CH3COO]- 352.12625 177.1
[M+Na-2H]- 314.08707 166.7
[M]+ 293.11185 167.2
[M]- 293.11295 167.2
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.