CID 158795

Tecadenoson

Structural Information

Molecular Formula
C14H19N5O5
SMILES
C1COC[C@@H]1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI
InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1
InChIKey
OESBDSFYJMDRJY-BAYCTPFLSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

510
Patents

337.1386 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14588 174.7
[M+Na]+ 360.12782 183.2
[M+NH4]+ 355.17242 178.8
[M+K]+ 376.10176 187.5
[M-H]- 336.13132 177.6
[M+Na-2H]- 358.11327 175.6
[M]+ 337.13805 176.2
[M]- 337.13915 176.2
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

patents stripe