CID 63441

33443-53-7

Structural Information

Molecular Formula

C₁₄H₉BrN₂O

SMILES

C1=CC=C(C=C1)C2=NC(=O)NC3=C2C=C(C=C3)Br

InChI

InChI=1S/C14H9BrN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)

InChIKey

YFRZROIZOHWZNR-UHFFFAOYSA-N

Compound name

6-bromo-4-phenyl-1H-quinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 10
Patents: 299.98984 Da
Monoisotopic Mass: 2.7
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]+	300.99712	156.6
[M+Na]+	322.97906	163.9
[M+NH4]+	318.02366	161.7
[M+K]+	338.95300	161.8
[M-H]-	298.98256	159.1
[M+Na-2H]-	320.96451	163.0
[M]+	299.98929	157.3
[M]-	299.99039	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe