CID 63400

Brn 1225482

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₂

SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2/c23-19-16-8-4-5-9-17(16)20-18(14-21-10-12-24-13-11-21)22(19)15-6-2-1-3-7-15/h1-9H,10-14H2

InChIKey

NALFTBYBXXCJSO-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylmethyl)-3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 321.14774 Da
Monoisotopic Mass: 2.1
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]+	322.155016	177.4
[M+Na]+	344.136958	184.3
[M-H]-	320.140464	183.5
[M+NH4]+	339.181563	186.1
[M+K]+	360.110898	179.1
[M+H-H2O]+	304.145000	164.8
[M+HCOO]-	366.145941	191.9
[M+CH3COO]-	380.161591	186.5
[M+Na-2H]-	342.122406	183.0
[M]+	321.14719142	174.8
[M]-	321.14828858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe