CID 248888

960-65-6

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

CC1=CC2=NC(=O)C(C(=O)N2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O2/c1-10-7-8-17-12(9-10)16-14(18)13(15(17)19)11-5-3-2-4-6-11/h2-9,13H,1H3

InChIKey

XGFVBROXGQNBSO-UHFFFAOYSA-N

Compound name

8-methyl-3-phenylpyrido[1,2-a]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 252.08987 Da
Monoisotopic Mass: 1.5
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]+	253.09715	156.4
[M+Na]+	275.07909	166.1
[M-H]-	251.08259	161.6
[M+NH4]+	270.12369	171.8
[M+K]+	291.05303	161.1
[M+H-H2O]+	235.08713	147.2
[M+HCOO]-	297.08807	175.3
[M+CH3COO]-	311.10372	168.4
[M+Na-2H]-	273.06454	162.1
[M]+	252.08932	155.6
[M]-	252.09042	155.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.