CID 6482281

Chembl191342

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₄

SMILES

CCCCC1=CC2=CN(C(=O)N=C2O1)COCCO

InChI

InChI=1S/C13H18N2O4/c1-2-3-4-11-7-10-8-15(9-18-6-5-16)13(17)14-12(10)19-11/h7-8,16H,2-6,9H2,1H3

InChIKey

MJAHWSXWASTRTQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 266.12665 Da
Monoisotopic Mass: 1.0
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]+	267.133926	158.3
[M+Na]+	289.115868	168.6
[M-H]-	265.119374	160.1
[M+NH4]+	284.160473	173.6
[M+K]+	305.089808	166.3
[M+H-H2O]+	249.123910	150.8
[M+HCOO]-	311.124851	179.4
[M+CH3COO]-	325.140501	194.3
[M+Na-2H]-	287.101316	164.0
[M]+	266.12610142	166.5
[M]-	266.12719858	166.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.