CID 464025

405238-75-7

Structural Information

Molecular Formula
C10H9ClFN5O2
SMILES
C1=C([C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3Cl)N)F
InChI
InChI=1S/C10H9ClFN5O2/c11-7-6-8(16-10(13)15-7)17(3-14-6)9-5(12)1-4(2-18)19-9/h1,3-4,9,18H,2H2,(H2,13,15,16)/t4-,9+/m0/s1
InChIKey
OAQXSETYPZVVCD-AJAUBTJJSA-N
Compound name
[(2S,5R)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

285.04288 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05016 159.1
[M+Na]+ 308.03210 172.4
[M-H]- 284.03560 161.0
[M+NH4]+ 303.07670 173.1
[M+K]+ 324.00604 167.4
[M+H-H2O]+ 268.04014 150.2
[M+HCOO]- 330.04108 173.3
[M+CH3COO]- 344.05673 171.0
[M+Na-2H]- 306.01755 161.1
[M]+ 285.04233 162.1
[M]- 285.04343 162.1
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.