CID 5273871

Schembl14430889

Structural Information

Molecular Formula

C₂₀H₃₂N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)CCCC

InChI

InChI=1S/C20H32N2O2/c1-3-5-7-8-9-10-11-12-13-18-15-17-16-22(14-6-4-2)20(23)21-19(17)24-18/h15-16H,3-14H2,1-2H3

InChIKey

JQLXDVUYIHVWFJ-UHFFFAOYSA-N

Compound name

3-butyl-6-decylfuro[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 332.24637 Da
Monoisotopic Mass: 6.2
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]+	333.25365	185.1
[M+Na]+	355.23559	193.1
[M-H]-	331.23909	186.9
[M+NH4]+	350.28019	198.6
[M+K]+	371.20953	188.7
[M+H-H2O]+	315.24363	176.3
[M+HCOO]-	377.24457	204.9
[M+CH3COO]-	391.26022	213.4
[M+Na-2H]-	353.22104	187.1
[M]+	332.24582	194.7
[M]-	332.24692	194.7

Literature stripe

literature stripe

Patent stripe

patents stripe