CID 3006941

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

Structural Information

Molecular Formula
C11H16FN5O3
SMILES
CC1=NC2C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F
InChI
InChI=1S/C11H16FN5O3/c1-4-15-9(13)7-10(16-4)17(3-14-7)11-6(12)8(19)5(2-18)20-11/h3,5-8,10-11,18-19H,2H2,1H3,(H2,13,15,16)/t5-,6-,7?,8-,10?,11-/m1/s1
InChIKey
MDGYENQWHORZRZ-KNFJPADGSA-N
Compound name
(2R,3R,4R,5R)-5-(6-amino-2-methyl-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

285.12372 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13100 165.1
[M+Na]+ 308.11294 174.6
[M-H]- 284.11644 165.1
[M+NH4]+ 303.15754 177.5
[M+K]+ 324.08688 171.2
[M+H-H2O]+ 268.12098 156.6
[M+HCOO]- 330.12192 178.2
[M+CH3COO]- 344.13757 175.0
[M+Na-2H]- 306.09839 163.3
[M]+ 285.12317 162.5
[M]- 285.12427 162.5
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.