CID 83892083

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

Structural Information

Molecular Formula

C₈H₅BrN₂O

SMILES

C1=CN=C2C=C(C=CN2C1=O)Br

InChI

InChI=1S/C8H5BrN2O/c9-6-2-4-11-7(5-6)10-3-1-8(11)12/h1-5H

InChIKey

CVYFPYSSTYXLMX-UHFFFAOYSA-N

Compound name

8-bromopyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 223.95853 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]+	224.96581	135.4
[M+Na]+	246.94775	141.4
[M+NH4]+	241.99235	140.7
[M+K]+	262.92169	140.6
[M-H]-	222.95125	136.0
[M+Na-2H]-	244.93320	140.5
[M]+	223.95798	135.3
[M]-	223.95908	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe