CID 3011673

Chembl222845

Structural Information

Molecular Formula

C₈H₁₀IN₅O₂

SMILES

C1=NC2=C(N=C(N=C2N1COCCO)I)N

InChI

InChI=1S/C8H10IN5O2/c9-8-12-6(10)5-7(13-8)14(3-11-5)4-16-2-1-15/h3,15H,1-2,4H2,(H2,10,12,13)

InChIKey

HTKZIANYOZGRMK-UHFFFAOYSA-N

Compound name

2-[(6-amino-2-iodopurin-9-yl)methoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 334.9879 Da
Monoisotopic Mass: -0.4
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]+	335.99518	152.8
[M+Na]+	357.97712	156.9
[M-H]-	333.98062	144.8
[M+NH4]+	353.02172	163.1
[M+K]+	373.95106	159.1
[M+H-H2O]+	317.98516	141.0
[M+HCOO]-	379.98610	168.6
[M+CH3COO]-	394.00175	196.9
[M+Na-2H]-	355.96257	147.8
[M]+	334.98735	153.2
[M]-	334.98845	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.