CID 457709

405238-76-8

Structural Information

Molecular Formula
C10H9F2N5O2
SMILES
C1=C([C@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)F)N)F
InChI
InChI=1S/C10H9F2N5O2/c11-5-1-4(2-18)19-9(5)17-3-14-6-7(13)15-10(12)16-8(6)17/h1,3-4,9,18H,2H2,(H2,13,15,16)/t4-,9-/m0/s1
InChIKey
CIKPRBCQERHFKS-IGJIYHIXSA-N
Compound name
[(2S,5S)-5-(6-amino-2-fluoropurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

269.07242 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07970 154.4
[M+Na]+ 292.06164 167.3
[M-H]- 268.06514 155.4
[M+NH4]+ 287.10624 168.3
[M+K]+ 308.03558 163.2
[M+H-H2O]+ 252.06968 144.7
[M+HCOO]- 314.07062 172.5
[M+CH3COO]- 328.08627 166.4
[M+Na-2H]- 290.04709 156.6
[M]+ 269.07187 154.7
[M]- 269.07297 154.7
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.