CID 3010398

((2s,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-azido-4-fluorotetrahydrofuran-2-yl)methanol

Structural Information

Molecular Formula
C10H11FN8O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N=[N+]=[N-])F)N
InChI
InChI=1S/C10H11FN8O2/c11-5-6(17-18-13)4(1-20)21-10(5)19-3-16-7-8(12)14-2-15-9(7)19/h2-6,10,20H,1H2,(H2,12,14,15)/t4-,5-,6-,10-/m1/s1
InChIKey
FMMKFPBAFDMOLE-PLDPKQSISA-N
Compound name
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-azido-4-fluorooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.0989 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10618 158.7
[M+Na]+ 317.08812 167.9
[M-H]- 293.09162 163.3
[M+NH4]+ 312.13272 171.0
[M+K]+ 333.06206 160.1
[M+H-H2O]+ 277.09616 152.5
[M+HCOO]- 339.09710 182.9
[M+CH3COO]- 353.11275 203.8
[M+Na-2H]- 315.07357 167.0
[M]+ 294.09835 155.8
[M]- 294.09945 155.8
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.