CID 455750

Imidazopyrimidine, furan deriv.

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

CCC1=C(N2C=CC=NC2=N1)C(=O)C3=CC=CO3

InChI

InChI=1S/C13H11N3O2/c1-2-9-11(12(17)10-5-3-8-18-10)16-7-4-6-14-13(16)15-9/h3-8H,2H2,1H3

InChIKey

WPLAKXWRNNFUFR-UHFFFAOYSA-N

Compound name

(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(furan-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.08513 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]+	242.092406	151.3
[M+Na]+	264.074348	162.4
[M-H]-	240.077854	156.9
[M+NH4]+	259.118953	168.1
[M+K]+	280.048288	159.9
[M+H-H2O]+	224.082390	143.2
[M+HCOO]-	286.083331	173.5
[M+CH3COO]-	300.098981	164.9
[M+Na-2H]-	262.059796	155.9
[M]+	241.08458142	156.3
[M]-	241.08567858	156.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.