CID 72248

110143-05-0

Structural Information

Molecular Formula

C₁₀H₁₂FN₅O₂

SMILES

C1[C@H](O[C@H]([C@@H]1F)N2C=NC3=C(N=CN=C32)N)CO

InChI

InChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1

InChIKey

KBEMFSMODRNJHE-BAJZRUMYSA-N

Compound name

[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 39
References: 4328
Patents: 253.0975 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.10478	153.4
[M+Na]+	276.08672	164.0
[M+NH4]+	271.13132	158.8
[M+K]+	292.06066	164.1
[M-H]-	252.09022	154.0
[M+Na-2H]-	274.07217	156.5
[M]+	253.09695	154.6
[M]-	253.09805	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe