CID 137009984

7-bromo-2-ethylquinazolin-4-ol

Structural Information

Molecular Formula

C₁₀H₉BrN₂O

SMILES

CCC1=NC2=C(C=CC(=C2)Br)C(=O)N1

InChI

InChI=1S/C10H9BrN2O/c1-2-9-12-8-5-6(11)3-4-7(8)10(14)13-9/h3-5H,2H2,1H3,(H,12,13,14)

InChIKey

WMDJMFCNWZBHSV-UHFFFAOYSA-N

Compound name

7-bromo-2-ethyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 251.98982 Da
Monoisotopic Mass: 1.9
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]+	252.99710	145.3
[M+Na]+	274.97904	150.8
[M+NH4]+	270.02364	150.0
[M+K]+	290.95298	149.9
[M-H]-	250.98254	145.5
[M+Na-2H]-	272.96449	149.1
[M]+	251.98927	145.0
[M]-	251.99037	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe