CID 2819120

Maybridge4_002219

Structural Information

Molecular Formula

C₁₅H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CN=C3C=CC=CN3C2=O

InChI

InChI=1S/C15H10N2O2/c18-14(11-6-2-1-3-7-11)12-10-16-13-8-4-5-9-17(13)15(12)19/h1-10H

InChIKey

XAADHDTVMSCWEE-UHFFFAOYSA-N

Compound name

3-benzoylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 250.07423 Da
Monoisotopic Mass: 1.9
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]+	251.081506	153.9
[M+Na]+	273.063448	163.5
[M-H]-	249.066954	159.2
[M+NH4]+	268.108053	168.9
[M+K]+	289.037388	158.5
[M+H-H2O]+	233.071490	144.5
[M+HCOO]-	295.072431	174.7
[M+CH3COO]-	309.088081	166.2
[M+Na-2H]-	271.048896	162.1
[M]+	250.07368142	154.5
[M]-	250.07477858	154.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.