CID 135564639

F-arag f-18

Structural Information

Molecular Formula

C₁₀H₁₂FN₅O₄

SMILES

C1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)[18F])N=C(NC2=O)N

InChI

InChI=1S/C10H12FN5O4/c11-4-6(18)3(1-17)20-9(4)16-2-13-5-7(16)14-10(12)15-8(5)19/h2-4,6,9,17-18H,1H2,(H3,12,14,15,19)/t3-,4+,6-,9-/m1/s1/i11-1

InChIKey

UXUZARPLRQRNNX-YXAALHNKSA-N

Compound name

2-amino-9-[(2R,3S,4R,5R)-3-(18F)fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 3819
Patents: 284.08987 Da
Monoisotopic Mass: -0.9
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]+	285.097146	160.0
[M+Na]+	307.079088	171.5
[M-H]-	283.082594	159.8
[M+NH4]+	302.123693	171.8
[M+K]+	323.053028	167.2
[M+H-H2O]+	267.087130	151.9
[M+HCOO]-	329.088071	175.1
[M+CH3COO]-	343.103721	170.6
[M+Na-2H]-	305.064536	160.4
[M]+	284.08932142	158.9
[M]-	284.09041858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe