CID 2434823

87591-84-2

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)CCl

InChI

InChI=1S/C10H9ClN2O/c1-7-2-3-13-9(4-7)12-8(6-11)5-10(13)14/h2-5H,6H2,1H3

InChIKey

VPGYSSGSLPBIFC-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 208.04034 Da
Monoisotopic Mass: 0.5
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]+	209.04762	140.2
[M+Na]+	231.02956	157.1
[M+NH4]+	226.07416	149.4
[M+K]+	247.00350	148.8
[M-H]-	207.03306	142.5
[M+Na-2H]-	229.01501	148.2
[M]+	208.03979	143.7
[M]-	208.04089	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe