CID 2763079

63234-80-0

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCCl

InChI

InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3

InChIKey

CMWCQQUYLPYOMY-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 226.0873 Da
Monoisotopic Mass: 1.1
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]+	227.09458	148.0
[M+Na]+	249.07652	157.7
[M-H]-	225.08002	149.4
[M+NH4]+	244.12112	165.9
[M+K]+	265.05046	152.8
[M+H-H2O]+	209.08456	141.0
[M+HCOO]-	271.08550	161.9
[M+CH3COO]-	285.10115	189.3
[M+Na-2H]-	247.06197	153.6
[M]+	226.08675	149.3
[M]-	226.08785	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe