CID 491435

Chembl28655

Structural Information

Molecular Formula

C₁₄H₁₄N₄O₂

SMILES

C1COCCC1N2C=NC3=C(N=CN=C32)C4=CC=CO4

InChI

InChI=1S/C14H14N4O2/c1-2-11(20-5-1)12-13-14(16-8-15-12)18(9-17-13)10-3-6-19-7-4-10/h1-2,5,8-10H,3-4,6-7H2

InChIKey

MVQFHFHHVSRMNX-UHFFFAOYSA-N

Compound name

6-(furan-2-yl)-9-(oxan-4-yl)purine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 270.11166 Da
Monoisotopic Mass: 1.1
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]+	271.118936	157.6
[M+Na]+	293.100878	166.7
[M-H]-	269.104384	164.5
[M+NH4]+	288.145483	169.7
[M+K]+	309.074818	164.6
[M+H-H2O]+	253.108920	147.7
[M+HCOO]-	315.109861	174.8
[M+CH3COO]-	329.125511	169.3
[M+Na-2H]-	291.086326	161.4
[M]+	270.11111142	158.4
[M]-	270.11220858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.