CID 3075180

172753-15-0

Structural Information

Molecular Formula

C₁₆H₁₃N₃O₃

SMILES

COC1=CC=C(C=C1)NC(=O)C2=CN=C3C=CC=CN3C2=O

InChI

InChI=1S/C16H13N3O3/c1-22-12-7-5-11(6-8-12)18-15(20)13-10-17-14-4-2-3-9-19(14)16(13)21/h2-10H,1H3,(H,18,20)

InChIKey

OBAWZPBSQYASTO-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 295.0957 Da
Monoisotopic Mass: 0.8
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]+	296.102976	165.6
[M+Na]+	318.084918	174.6
[M-H]-	294.088424	171.0
[M+NH4]+	313.129523	178.6
[M+K]+	334.058858	170.1
[M+H-H2O]+	278.092960	155.7
[M+HCOO]-	340.093901	187.3
[M+CH3COO]-	354.109551	204.5
[M+Na-2H]-	316.070366	173.1
[M]+	295.09515142	167.7
[M]-	295.09624858	167.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.