CID 122527

29766-64-1

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₃

SMILES

CCOC(=O)C1=CNC2CCCC(N2C1=O)C

InChI

InChI=1S/C12H18N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h7-8,10,13H,3-6H2,1-2H3

InChIKey

LRNCBUQKZLZXAV-UHFFFAOYSA-N

Compound name

ethyl 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 238.13174 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]+	239.139016	155.0
[M+Na]+	261.120958	161.0
[M-H]-	237.124464	154.5
[M+NH4]+	256.165563	170.4
[M+K]+	277.094898	158.2
[M+H-H2O]+	221.129000	147.6
[M+HCOO]-	283.129941	168.4
[M+CH3COO]-	297.145591	190.4
[M+Na-2H]-	259.106406	157.1
[M]+	238.13119142	151.6
[M]-	238.13228858	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe