CID 6483435

4'-ed42fa

Structural Information

Molecular Formula
C12H10FN5O2
SMILES
C#C[C@]1(C=C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)CO
InChI
InChI=1S/C12H10FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,3-4,6-7,19H,5H2,(H2,14,16,17)/t7-,12+/m1/s1
InChIKey
AHGUGKZOPNWSMI-KRTXAFLBSA-N
Compound name
[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

275.08185 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08913 153.5
[M+Na]+ 298.07107 166.9
[M-H]- 274.07457 151.8
[M+NH4]+ 293.11567 166.2
[M+K]+ 314.04501 160.7
[M+H-H2O]+ 258.07911 137.5
[M+HCOO]- 320.08005 166.0
[M+CH3COO]- 334.09570 163.1
[M+Na-2H]- 296.05652 155.8
[M]+ 275.08130 148.4
[M]- 275.08240 148.4
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