CID 64008

138841-14-2

Structural Information

Molecular Formula

C₂₀H₁₆N₂O₂

SMILES

C1=CC=C2C=C(C=CC2=C1)OCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H16N2O2/c23-20-18-7-3-4-8-19(18)21-14-22(20)11-12-24-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2

InChIKey

LPCHLQFOYKUQJP-UHFFFAOYSA-N

Compound name

3-(2-naphthalen-2-yloxyethyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 316.1212 Da
Monoisotopic Mass: 3.8
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]+	317.128476	174.0
[M+Na]+	339.110418	184.3
[M-H]-	315.113924	180.0
[M+NH4]+	334.155023	187.3
[M+K]+	355.084358	177.5
[M+H-H2O]+	299.118460	163.0
[M+HCOO]-	361.119401	194.6
[M+CH3COO]-	375.135051	185.2
[M+Na-2H]-	337.095866	183.6
[M]+	316.12065142	177.7
[M]-	316.12174858	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe