CID 2434807

87591-79-5

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CC1=CN2C(=NC(=CC2=O)CCl)C=C1

InChI

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

InChIKey

KPABQRQVYRRJPX-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
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