CID 180259

124429-03-4

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

CCCCOC1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O2/c1-2-3-13-23-17-10-8-16(9-11-17)12-14-24-20-18-6-4-5-7-19(18)21-15-22-20/h4-11,15H,2-3,12-14H2,1H3

InChIKey

KCNCAHUJDPRDKL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 322.16812 Da
Monoisotopic Mass: 5.3
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]+	323.175396	178.6
[M+Na]+	345.157338	185.5
[M-H]-	321.160844	182.6
[M+NH4]+	340.201943	190.7
[M+K]+	361.131278	180.1
[M+H-H2O]+	305.165380	167.6
[M+HCOO]-	367.166321	198.2
[M+CH3COO]-	381.181971	209.2
[M+Na-2H]-	343.142786	185.0
[M]+	322.16757142	182.7
[M]-	322.16866858	182.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe