CID 776367

87591-74-0

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CCl

InChI

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

InChIKey

NZFZSMAXDGYHRH-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 208.04034 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]+	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