CID 785275

3-phenylquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

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

InChI

InChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H

InChIKey

WAIHFZPSLVDBRV-UHFFFAOYSA-N

Compound name

3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 83
Patents: 222.07932 Da
Monoisotopic Mass: 2.2
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]+	223.08660	147.5
[M+Na]+	245.06854	165.4
[M+NH4]+	240.11314	157.0
[M+K]+	261.04248	156.3
[M-H]-	221.07204	152.5
[M+Na-2H]-	243.05399	158.8
[M]+	222.07877	151.7
[M]-	222.07987	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe