CID 15547194

130049-82-0

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O₂

SMILES

CC1=C(C(=O)N2CCCC(C2=N1)O)CCCl

InChI

InChI=1S/C11H15ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h9,15H,2-6H2,1H3

InChIKey

JKVUGXRJSYRXFN-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-9-hydroxy-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: 217
Patents: 242.0822 Da
Monoisotopic Mass: 0.6
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]+	243.08948	150.8
[M+Na]+	265.07142	165.0
[M+NH4]+	260.11602	158.7
[M+K]+	281.04536	157.9
[M-H]-	241.07492	151.7
[M+Na-2H]-	263.05687	155.4
[M]+	242.08165	153.3
[M]-	242.08275	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe