CID 738365

60007-51-4

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H12N2O2/c19-15(12-6-2-1-3-7-12)10-18-11-17-14-9-5-4-8-13(14)16(18)20/h1-9,11H,10H2

InChIKey

TYEAFCPAPCNRES-UHFFFAOYSA-N

Compound name

3-phenacylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 264.08987 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]+	265.097146	158.6
[M+Na]+	287.079088	167.6
[M-H]-	263.082594	163.6
[M+NH4]+	282.123693	172.9
[M+K]+	303.053028	162.4
[M+H-H2O]+	247.087130	148.9
[M+HCOO]-	309.088071	179.0
[M+CH3COO]-	323.103721	170.4
[M+Na-2H]-	285.064536	166.2
[M]+	264.08932142	159.5
[M]-	264.09041858	159.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.