CID 515219

(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(ethoxyiminomethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C12H16N6O4
SMILES
CCON=C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C12H16N6O4/c1-2-21-17-3-6-8(19)9(20)12(22-6)18-5-16-7-10(13)14-4-15-11(7)18/h3-6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey
DQTJYKUUNJPXRM-WOUKDFQISA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(ethoxyiminomethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.1233 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13058 167.3
[M+Na]+ 331.11252 176.9
[M-H]- 307.11602 170.4
[M+NH4]+ 326.15712 178.9
[M+K]+ 347.08646 174.3
[M+H-H2O]+ 291.12056 158.5
[M+HCOO]- 353.12150 186.8
[M+CH3COO]- 367.13715 205.9
[M+Na-2H]- 329.09797 169.8
[M]+ 308.12275 170.1
[M]- 308.12385 170.1
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.