CID 214588

Mz-170

Structural Information

Molecular Formula

C₁₃H₂₂N₂O₃

SMILES

CCOC(=O)C1CN(C2CCCC(N2C1=O)C)C

InChI

InChI=1S/C13H22N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h9-11H,4-8H2,1-3H3

InChIKey

HGVRNDCUBSOXSG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 254.16304 Da
Monoisotopic Mass: 1.4
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]+	255.170316	160.3
[M+Na]+	277.152258	166.1
[M-H]-	253.155764	161.0
[M+NH4]+	272.196863	175.9
[M+K]+	293.126198	164.2
[M+H-H2O]+	237.160300	152.7
[M+HCOO]-	299.161241	173.3
[M+CH3COO]-	313.176891	197.6
[M+Na-2H]-	275.137706	160.6
[M]+	254.16249142	158.0
[M]-	254.16358858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe