CID 63272

73283-26-8

Structural Information

Molecular Formula

C₂₁H₁₅N₃O₂

SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H15N3O2/c25-19(15-7-6-12-22-14-15)13-20-23-18-11-5-4-10-17(18)21(26)24(20)16-8-2-1-3-9-16/h1-12,14H,13H2

InChIKey

HBEKILAOOXSAOC-UHFFFAOYSA-N

Compound name

2-(2-oxo-2-pyridin-3-ylethyl)-3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 341.11642 Da
Monoisotopic Mass: 2.9
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]+	342.12370	181.9
[M+Na]+	364.10564	190.6
[M-H]-	340.10914	188.3
[M+NH4]+	359.15024	191.0
[M+K]+	380.07958	183.3
[M+H-H2O]+	324.11368	169.4
[M+HCOO]-	386.11462	200.0
[M+CH3COO]-	400.13027	191.5
[M+Na-2H]-	362.09109	188.3
[M]+	341.11587	182.2
[M]-	341.11697	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe