CID 154699920

Ns00117642

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCC1=C(N=C2C(CCCN2C1=O)C)C

InChI

InChI=1S/C12H18N2O/c1-4-10-9(3)13-11-8(2)6-5-7-14(11)12(10)15/h8H,4-7H2,1-3H3

InChIKey

RBTHKVQFHNZPHN-UHFFFAOYSA-N

Compound name

3-ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.1419 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]+	207.14918	146.6
[M+Na]+	229.13112	156.2
[M-H]-	205.13462	148.6
[M+NH4]+	224.17572	164.8
[M+K]+	245.10506	152.7
[M+H-H2O]+	189.13916	139.2
[M+HCOO]-	251.14010	164.8
[M+CH3COO]-	265.15575	189.7
[M+Na-2H]-	227.11657	151.5
[M]+	206.14135	146.8
[M]-	206.14245	146.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.