CID 15955928

6-hexyl-3-(1-methylbutyl)furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CCCCCCC1=CC2=CN(C(=O)N=C2O1)C(C)CCC

InChI

InChI=1S/C17H26N2O2/c1-4-6-7-8-10-15-11-14-12-19(13(3)9-5-2)17(20)18-16(14)21-15/h11-13H,4-10H2,1-3H3

InChIKey

ZILREHOVXYGKKK-UHFFFAOYSA-N

Compound name

6-hexyl-3-pentan-2-ylfuro[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 290.19943 Da
Monoisotopic Mass: 4.5
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]+	291.206706	171.6
[M+Na]+	313.188648	180.7
[M-H]-	289.192154	174.2
[M+NH4]+	308.233253	186.8
[M+K]+	329.162588	177.6
[M+H-H2O]+	273.196690	163.6
[M+HCOO]-	335.197631	191.5
[M+CH3COO]-	349.213281	205.3
[M+Na-2H]-	311.174096	174.2
[M]+	290.19888142	179.6
[M]-	290.19997858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.