CID 63250

61554-65-2

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

CCOCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C18H18N2O2/c1-3-22-12-17-19-15-10-6-5-9-14(15)18(21)20(17)16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3

InChIKey

MQBMVHJXZKUDQZ-UHFFFAOYSA-N

Compound name

2-(ethoxymethyl)-3-(2-methylphenyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 294.13684 Da
Monoisotopic Mass: 2.8
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]+	295.144116	169.6
[M+Na]+	317.126058	179.6
[M-H]-	293.129564	174.9
[M+NH4]+	312.170663	183.5
[M+K]+	333.099998	174.1
[M+H-H2O]+	277.134100	159.6
[M+HCOO]-	339.135041	190.1
[M+CH3COO]-	353.150691	181.2
[M+Na-2H]-	315.111506	175.6
[M]+	294.13629142	173.3
[M]-	294.13738858	173.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.