CID 121578

Decoyinine

Structural Information

Molecular Formula
C11H13N5O4
SMILES
C=C1[C@H]([C@H]([C@](O1)(CO)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1
InChIKey
UZSSGAOAYPICBZ-SOCHQFKDSA-N
Compound name
(2R,3R,4S)-2-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

47
References

244
Patents

279.09674 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.104016 159.8
[M+Na]+ 302.085958 171.0
[M-H]- 278.089464 160.8
[M+NH4]+ 297.130563 173.6
[M+K]+ 318.059898 167.3
[M+H-H2O]+ 262.094000 152.8
[M+HCOO]- 324.094941 175.7
[M+CH3COO]- 338.110591 170.8
[M+Na-2H]- 300.071406 162.5
[M]+ 279.09619142 160.0
[M]- 279.09728858 160.0
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