CID 456327

.alpha.-2'-f-d4a

Structural Information

Molecular Formula
C10H10FN5O2
SMILES
C1=C([C@@H](O[C@H]1CO)N2C=NC3=C(N=CN=C32)N)F
InChI
InChI=1S/C10H10FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h1,3-5,10,17H,2H2,(H2,12,13,14)/t5-,10-/m1/s1
InChIKey
YSLULYDQVQFWMU-GPXNAGAYSA-N
Compound name
[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

251.08185 Da
Monoisotopic Mass

-0.5
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

literature stripe

Patent stripe

patents stripe