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	143.7
[M+Na]+	274.97904	157.5
[M-H]-	250.98254	147.7
[M+NH4]+	270.02364	162.9
[M+K]+	290.95298	144.9
[M+H-H2O]+	234.98708	143.3
[M+HCOO]-	296.98802	161.9
[M+CH3COO]-	311.00367	158.4
[M+Na-2H]-	272.96449	153.0
[M]+	251.98927	162.6
[M]-	251.99037	162.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe