CID 5274244

825634-78-4

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₄

SMILES

CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO

InChI

InChI=1S/C17H26N2O4/c1-2-3-4-5-6-7-8-15-11-14-12-19(13-22-10-9-20)17(21)18-16(14)23-15/h11-12,20H,2-10,13H2,1H3

InChIKey

OBMFMMYUTYRFJR-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethoxymethyl)-6-octylfuro[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 322.18927 Da
Monoisotopic Mass: 3.1
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]+	323.196546	176.8
[M+Na]+	345.178488	185.3
[M-H]-	321.181994	177.9
[M+NH4]+	340.223093	189.8
[M+K]+	361.152428	182.1
[M+H-H2O]+	305.186530	168.5
[M+HCOO]-	367.187471	196.6
[M+CH3COO]-	381.203121	206.1
[M+Na-2H]-	343.163936	180.4
[M]+	322.18872142	186.4
[M]-	322.18981858	186.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.