CID 6482284

Chembl364716

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₄

SMILES

CCCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO

InChI

InChI=1S/C16H24N2O4/c1-2-3-4-5-6-7-14-10-13-11-18(12-21-9-8-19)16(20)17-15(13)22-14/h10-11,19H,2-9,12H2,1H3

InChIKey

HLBPZNTYZYXUHU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.1736 Da
Monoisotopic Mass: 2.6
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]+	309.180876	172.2
[M+Na]+	331.162818	181.2
[M-H]-	307.166324	173.4
[M+NH4]+	326.207423	185.8
[M+K]+	347.136758	178.2
[M+H-H2O]+	291.170860	164.1
[M+HCOO]-	353.171801	192.3
[M+CH3COO]-	367.187451	203.2
[M+Na-2H]-	329.148266	176.3
[M]+	308.17305142	181.4
[M]-	308.17414858	181.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.