CID 4623805

3,4-dihydro-3-phenyl-2h-pyrido(1,2-a)pyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C2C(=O)N=C3C=CC=CN3C2=O

InChI

InChI=1S/C14H10N2O2/c17-13-12(10-6-2-1-3-7-10)14(18)16-9-5-4-8-11(16)15-13/h1-9,12H

InChIKey

SAGNZOWBDHLCJD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.07423 Da
Monoisotopic Mass: 1.6
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]+	239.081506	151.6
[M+Na]+	261.063448	160.8
[M-H]-	237.066954	156.6
[M+NH4]+	256.108053	167.3
[M+K]+	277.037388	156.0
[M+H-H2O]+	221.071490	142.4
[M+HCOO]-	283.072431	170.9
[M+CH3COO]-	297.088081	163.7
[M+Na-2H]-	259.048896	158.6
[M]+	238.07368142	150.1
[M]-	238.07477858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe