CID 508045

Schembl5459302

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

CCCCC1=CC2=CN=C(N=C2O1)OC3CCCC3

InChI

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

InChIKey

WCLNHKABKIPQTG-UHFFFAOYSA-N

Compound name

6-butyl-2-cyclopentyloxyfuro[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 260.15247 Da
Monoisotopic Mass: 4.2
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]+	261.159746	159.2
[M+Na]+	283.141688	167.4
[M-H]-	259.145194	164.9
[M+NH4]+	278.186293	176.7
[M+K]+	299.115628	165.1
[M+H-H2O]+	243.149730	151.4
[M+HCOO]-	305.150671	180.1
[M+CH3COO]-	319.166321	171.6
[M+Na-2H]-	281.127136	162.2
[M]+	260.15192142	162.9
[M]-	260.15301858	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe