CID 85616

16867-53-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CCOC(=O)C1=CN=C2C=CC=C(N2C1=O)C

InChI

InChI=1S/C12H12N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h4-7H,3H2,1-2H3

InChIKey

ZLYHSYOPYSDSHB-UHFFFAOYSA-N

Compound name

ethyl 6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 232.0848 Da
Monoisotopic Mass: 1.0
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]+	233.09208	149.4
[M+Na]+	255.07402	163.8
[M+NH4]+	250.11862	156.4
[M+K]+	271.04796	157.7
[M-H]-	231.07752	150.2
[M+Na-2H]-	253.05947	155.4
[M]+	232.08425	151.6
[M]-	232.08535	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe