CID 3614131

7-bromo-2-chloro-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula

C₈H₄BrClN₂O

SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)Cl

InChI

InChI=1S/C8H4BrClN2O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H

InChIKey

PLYVBFWARNQVJL-UHFFFAOYSA-N

Compound name

7-bromo-2-chloropyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 257.91956 Da
Monoisotopic Mass: 1.4
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]+	258.92684	141.3
[M+Na]+	280.90878	148.4
[M+NH4]+	275.95338	146.8
[M+K]+	296.88272	146.9
[M-H]-	256.91228	142.0
[M+Na-2H]-	278.89423	146.2
[M]+	257.91901	141.7
[M]-	257.92011	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe