CID 3079287

125055-65-4

Structural Information

Molecular Formula

C₁₆H₁₃N₃O₂

SMILES

CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C16H13N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,20)

InChIKey

BECHPSJCRMKBSB-UHFFFAOYSA-N

Compound name

6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 279.10077 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]+	280.10805	162.8
[M+Na]+	302.08999	172.0
[M-H]-	278.09349	168.2
[M+NH4]+	297.13459	176.6
[M+K]+	318.06393	166.8
[M+H-H2O]+	262.09803	153.1
[M+HCOO]-	324.09897	184.3
[M+CH3COO]-	338.11462	174.4
[M+Na-2H]-	300.07544	170.2
[M]+	279.10022	163.4
[M]-	279.10132	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe