CID 3006945

(2r,3r,4r,5r)-5-(2-amino-6-methoxy-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C11H16FN5O4
SMILES
COC1=NC(=NC2C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N
InChI
InChI=1S/C11H16FN5O4/c1-20-9-6-8(15-11(13)16-9)17(3-14-6)10-5(12)7(19)4(2-18)21-10/h3-8,10,18-19H,2H2,1H3,(H2,13,15)/t4-,5-,6?,7-,8?,10-/m1/s1
InChIKey
PSHOBJDCUMSMKS-HMJOIHBISA-N
Compound name
(2R,3R,4R,5R)-5-(2-amino-6-methoxy-4,5-dihydropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.11862 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12590 167.2
[M+Na]+ 324.10784 176.5
[M-H]- 300.11134 167.3
[M+NH4]+ 319.15244 178.9
[M+K]+ 340.08178 173.8
[M+H-H2O]+ 284.11588 158.6
[M+HCOO]- 346.11682 180.4
[M+CH3COO]- 360.13247 200.8
[M+Na-2H]- 322.09329 165.7
[M]+ 301.11807 165.9
[M]- 301.11917 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.