CID 64046

138841-13-1

Structural Information

Molecular Formula

C₂₂H₁₈N₂O₂

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2OCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H18N2O2/c25-22-19-11-4-6-12-20(19)23-16-24(22)14-15-26-21-13-7-5-10-18(21)17-8-2-1-3-9-17/h1-13,16H,14-15H2

InChIKey

FARJEKNNKAZZES-UHFFFAOYSA-N

Compound name

3-[2-(2-phenylphenoxy)ethyl]quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 342.13684 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]+	343.144116	182.8
[M+Na]+	365.126058	191.1
[M-H]-	341.129564	190.3
[M+NH4]+	360.170663	193.4
[M+K]+	381.099998	184.0
[M+H-H2O]+	325.134100	170.6
[M+HCOO]-	387.135041	202.8
[M+CH3COO]-	401.150691	192.8
[M+Na-2H]-	363.111506	189.5
[M]+	342.13629142	184.2
[M]-	342.13738858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe