CID 467291

Nsc655260

Structural Information

Molecular Formula

C₁₀H₁₂FN₅O₃

SMILES

C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)NO)CO

InChI

InChI=1S/C10H12FN5O3/c11-6-1-5(2-17)19-10(6)16-4-14-7-8(15-18)12-3-13-9(7)16/h3-6,10,17-18H,1-2H2,(H,12,13,15)/t5-,6-,10+/m0/s1

InChIKey

LZVXBWXUFTXESA-JFWOZONXSA-N

Compound name

[(2S,4S,5R)-4-fluoro-5-[6-(hydroxyamino)purin-9-yl]oxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 269.0924 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]+	270.09968	154.8
[M+Na]+	292.08162	164.9
[M-H]-	268.08512	155.4
[M+NH4]+	287.12622	167.7
[M+K]+	308.05556	161.7
[M+H-H2O]+	252.08966	145.7
[M+HCOO]-	314.09060	171.8
[M+CH3COO]-	328.10625	165.8
[M+Na-2H]-	290.06707	158.0
[M]+	269.09185	154.8
[M]-	269.09295	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe