CID 3813423

4-phenyl-2h-pyrido[1,2-a]pyrimidin-2-one

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C3N2C=CC=C3

InChI

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

InChIKey

AHPOSBFUSLSSMD-UHFFFAOYSA-N

Compound name

4-phenylpyrido[1,2-a]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 222.07932 Da
Monoisotopic Mass: 1.8
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	147.2
[M+Na]+	245.06854	157.4
[M-H]-	221.07204	152.5
[M+NH4]+	240.11314	163.6
[M+K]+	261.04248	152.1
[M+H-H2O]+	205.07658	138.0
[M+HCOO]-	267.07752	169.0
[M+CH3COO]-	281.09317	160.1
[M+Na-2H]-	243.05399	157.0
[M]+	222.07877	147.3
[M]-	222.07987	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe