CID 63721

Chi 2

Structural Information

Molecular Formula

C₁₆H₁₄N₂O

SMILES

CC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O/c1-12-17-15-10-6-5-9-14(15)16(19)18(12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

InChIKey

AEEMIAVGTXSJQZ-UHFFFAOYSA-N

Compound name

3-benzyl-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.11061 Da
Monoisotopic Mass: 2.4
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]+	251.11789	156.6
[M+Na]+	273.09983	174.5
[M+NH4]+	268.14443	165.8
[M+K]+	289.07377	165.1
[M-H]-	249.10333	161.7
[M+Na-2H]-	271.08528	167.2
[M]+	250.11006	160.9
[M]-	250.11116	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe