CID 508033

Schembl5465806

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

CCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCC3

InChI

InChI=1S/C15H20N2O2/c1-2-3-8-13-9-11-10-17(12-6-4-5-7-12)15(18)16-14(11)19-13/h9-10,12H,2-8H2,1H3

InChIKey

KEEVJVLGPNOAOA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 260.15247 Da
Monoisotopic Mass: 3.0
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]+	261.159746	159.1
[M+Na]+	283.141688	168.5
[M-H]-	259.145194	165.2
[M+NH4]+	278.186293	176.9
[M+K]+	299.115628	165.6
[M+H-H2O]+	243.149730	151.7
[M+HCOO]-	305.150671	180.2
[M+CH3COO]-	319.166321	171.9
[M+Na-2H]-	281.127136	161.4
[M]+	260.15192142	162.5
[M]-	260.15301858	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe