CID 6482299

Chembl434353

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₄

SMILES

CCCCCCCC#CC1=CC2=CN(C(=O)N=C2O1)COCCO

InChI

InChI=1S/C18H24N2O4/c1-2-3-4-5-6-7-8-9-16-12-15-13-20(14-23-11-10-21)18(22)19-17(15)24-16/h12-13,21H,2-7,10-11,14H2,1H3

InChIKey

ONWCUOXMURCKLN-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethoxymethyl)-6-non-1-ynylfuro[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 332.1736 Da
Monoisotopic Mass: 3.2
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]+	333.180876	173.8
[M+Na]+	355.162818	184.2
[M-H]-	331.166324	172.5
[M+NH4]+	350.207423	184.6
[M+K]+	371.136758	178.8
[M+H-H2O]+	315.170860	159.1
[M+HCOO]-	377.171801	187.6
[M+CH3COO]-	391.187451	211.6
[M+Na-2H]-	353.148266	175.9
[M]+	332.17305142	176.1
[M]-	332.17414858	176.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.