CID 63270

73283-10-0

Structural Information

Molecular Formula

C₂₂H₁₇N₃O₂

SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H17N3O2/c1-15-7-2-5-11-19(15)25-21(13-20(26)16-8-6-12-23-14-16)24-18-10-4-3-9-17(18)22(25)27/h2-12,14H,13H2,1H3

InChIKey

AYAVLTURCNQGSH-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)-2-(2-oxo-2-pyridin-3-ylethyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 355.13208 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]+	356.13936	185.2
[M+Na]+	378.12130	203.9
[M+NH4]+	373.16590	192.5
[M+K]+	394.09524	194.4
[M-H]-	354.12480	191.2
[M+Na-2H]-	376.10675	196.4
[M]+	355.13153	189.8
[M]-	355.13263	189.8

Literature stripe

literature stripe

Patent stripe

patents stripe