CID 493499

Cf1381

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

CCCCCCCCC1=CC2=C(O1)NC(=O)N=C2

InChI

InChI=1S/C14H20N2O2/c1-2-3-4-5-6-7-8-12-9-11-10-15-14(17)16-13(11)18-12/h9-10H,2-8H2,1H3,(H,15,16,17)

InChIKey

QSJZVAZRTPZMEQ-UHFFFAOYSA-N

Compound name

6-octyl-1H-furo[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 248.15248 Da
Monoisotopic Mass: 4.0
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]+	249.15976	157.3
[M+Na]+	271.14170	166.7
[M-H]-	247.14520	158.5
[M+NH4]+	266.18630	173.3
[M+K]+	287.11564	162.9
[M+H-H2O]+	231.14974	149.8
[M+HCOO]-	293.15068	177.8
[M+CH3COO]-	307.16633	191.8
[M+Na-2H]-	269.12715	163.0
[M]+	248.15193	162.7
[M]-	248.15303	162.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.