CID 453097

134924-79-1

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

CC1=CC=C(O1)C2=NC(=CC(=O)N2C)C

InChI

InChI=1S/C11H12N2O2/c1-7-6-10(14)13(3)11(12-7)9-5-4-8(2)15-9/h4-6H,1-3H3

InChIKey

AIYFCBGHGPMPFT-UHFFFAOYSA-N

Compound name

3,6-dimethyl-2-(5-methylfuran-2-yl)pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 1.3
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]+	205.09715	141.4
[M+Na]+	227.07909	153.5
[M-H]-	203.08259	147.6
[M+NH4]+	222.12369	159.2
[M+K]+	243.05303	151.5
[M+H-H2O]+	187.08713	134.2
[M+HCOO]-	249.08807	164.7
[M+CH3COO]-	263.10372	186.2
[M+Na-2H]-	225.06454	146.3
[M]+	204.08932	145.7
[M]-	204.09042	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.