CID 3011924

(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-[(e)-pent-1-en-3-ynyl]tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C14H15N5O3
SMILES
CC#CC=C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H15N5O3/c1-2-3-4-5-8-10(20)11(21)14(22-8)19-7-18-9-12(15)16-6-17-13(9)19/h4-8,10-11,14,20-21H,1H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
InChIKey
ZWEHEUCSJFJXOQ-IDTAVKCVSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-pent-1-en-3-ynyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.1175 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12478 167.2
[M+Na]+ 324.10672 178.1
[M-H]- 300.11022 165.1
[M+NH4]+ 319.15132 176.5
[M+K]+ 340.08066 171.9
[M+H-H2O]+ 284.11476 151.7
[M+HCOO]- 346.11570 177.4
[M+CH3COO]- 360.13135 175.0
[M+Na-2H]- 322.09217 165.8
[M]+ 301.11695 161.1
[M]- 301.11805 161.1
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.