CID 207591

30238-40-5

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₃

SMILES

CCOC(=O)C1=CN(C2CCCC(N2C1=O)C)C

InChI

InChI=1S/C13H20N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h8-9,11H,4-7H2,1-3H3

InChIKey

GLHCZAOYBZLTCB-UHFFFAOYSA-N

Compound name

ethyl 1,6-dimethyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 252.1474 Da
Monoisotopic Mass: 1.7
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]+	253.154676	158.5
[M+Na]+	275.136618	165.4
[M-H]-	251.140124	159.7
[M+NH4]+	270.181223	174.4
[M+K]+	291.110558	163.3
[M+H-H2O]+	235.144660	151.0
[M+HCOO]-	297.145601	173.1
[M+CH3COO]-	311.161251	197.1
[M+Na-2H]-	273.122066	159.9
[M]+	252.14685142	157.7
[M]-	252.14794858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe