CID 5155027

2-(chloromethyl)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

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

InChI

InChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2

InChIKey

QANDFEYEAYUSKD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 194.02469 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]+	195.03197	135.6
[M+Na]+	217.01391	152.3
[M+NH4]+	212.05851	144.9
[M+K]+	232.98785	144.1
[M-H]-	193.01741	137.9
[M+Na-2H]-	214.99936	144.2
[M]+	194.02414	139.0
[M]-	194.02524	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe