CID 2927305

328956-24-7

Structural Information

Molecular Formula

C₉H₉BrN₂O

SMILES

CN1CC2=C(C=CC(=C2)Br)NC1=O

InChI

InChI=1S/C9H9BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-4H,5H2,1H3,(H,11,13)

InChIKey

FZPAKYJRNKYQBY-UHFFFAOYSA-N

Compound name

6-bromo-3-methyl-1,4-dihydroquinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 26
Patents: 239.98982 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]+	240.99710	143.8
[M+Na]+	262.97904	147.8
[M+NH4]+	258.02364	148.5
[M+K]+	278.95298	147.5
[M-H]-	238.98254	143.7
[M+Na-2H]-	260.96449	146.2
[M]+	239.98927	143.1
[M]-	239.99037	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe