CID 6482282

Chembl439851

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₄

SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-2-3-4-5-6-13-9-12-10-17(11-20-8-7-18)15(19)16-14(12)21-13/h9-10,18H,2-8,11H2,1H3

InChIKey

AQPCGHOMCDJFJZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 294.15796 Da
Monoisotopic Mass: 2.1
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]+	295.165236	167.6
[M+Na]+	317.147178	177.0
[M-H]-	293.150684	169.0
[M+NH4]+	312.191783	181.8
[M+K]+	333.121118	174.2
[M+H-H2O]+	277.155220	159.7
[M+HCOO]-	339.156161	188.1
[M+CH3COO]-	353.171811	200.2
[M+Na-2H]-	315.132626	172.2
[M]+	294.15741142	176.5
[M]-	294.15850858	176.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.