CID 498019

[(5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-3-yl]methanol

Structural Information

Molecular Formula
C10H10FN5O2
SMILES
C1C(=C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)F)CO
InChI
InChI=1S/C10H10FN5O2/c11-6-5(1-17)2-18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-4,10,17H,1-2H2,(H2,12,13,14)/t10-/m1/s1
InChIKey
BQJRMDDBNHUBRZ-SNVBAGLBSA-N
Compound name
[(5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08185 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08913 151.2
[M+Na]+ 274.07107 163.1
[M-H]- 250.07457 153.1
[M+NH4]+ 269.11567 165.6
[M+K]+ 290.04501 159.6
[M+H-H2O]+ 234.07911 142.1
[M+HCOO]- 296.08005 170.4
[M+CH3COO]- 310.09570 163.5
[M+Na-2H]- 272.05652 154.7
[M]+ 251.08130 152.1
[M]- 251.08240 152.1
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.