CID 455766

2meo2'f-a

Structural Information

Molecular Formula
C11H14FN5O4
SMILES
COC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N
InChI
InChI=1S/C11H14FN5O4/c1-20-11-15-8(13)6-9(16-11)17(3-14-6)10-5(12)7(19)4(2-18)21-10/h3-5,7,10,18-19H,2H2,1H3,(H2,13,15,16)/t4-,5-,7-,10-/m1/s1
InChIKey
NRLVIGDRRHAGSY-QYYRPYCUSA-N
Compound name
(2R,3R,4R,5R)-5-(6-amino-2-methoxypurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.103 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11028 164.2
[M+Na]+ 322.09222 175.4
[M-H]- 298.09572 165.2
[M+NH4]+ 317.13682 176.2
[M+K]+ 338.06616 172.3
[M+H-H2O]+ 282.10026 155.6
[M+HCOO]- 344.10120 180.3
[M+CH3COO]- 358.11685 175.1
[M+Na-2H]- 320.07767 164.6
[M]+ 299.10245 165.8
[M]- 299.10355 165.8
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.