CID 164162

124427-96-9

Structural Information

Molecular Formula

C₂₂H₁₈N₂O₂

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CCOC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H18N2O2/c1-2-6-18(7-3-1)26-19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)23-16-24-22/h1-13,16H,14-15H2

InChIKey

ZPIQDTZKABPFQL-UHFFFAOYSA-N

Compound name

4-[2-(4-phenoxyphenyl)ethoxy]quinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 342.13684 Da
Monoisotopic Mass: 5.6
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	182.4
[M+Na]+	365.126058	189.5
[M-H]-	341.129564	189.5
[M+NH4]+	360.170663	192.7
[M+K]+	381.099998	183.0
[M+H-H2O]+	325.134100	170.0
[M+HCOO]-	387.135041	202.2
[M+CH3COO]-	401.150691	192.1
[M+Na-2H]-	363.111506	190.0
[M]+	342.13629142	184.0
[M]-	342.13738858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe