CID 135407319

Chembl343350

Structural Information

Molecular Formula

C₁₅H₁₁FN₂O₂

SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)F)C(=O)N2

InChI

InChI=1S/C15H11FN2O2/c1-20-11-4-2-3-9(7-11)14-17-13-6-5-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)

InChIKey

WMNCWEKNTTWUBB-UHFFFAOYSA-N

Compound name

6-fluoro-2-(3-methoxyphenyl)-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 270.08044 Da
Monoisotopic Mass: 2.4
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]+	271.08772	159.1
[M+Na]+	293.06966	170.2
[M-H]-	269.07316	162.3
[M+NH4]+	288.11426	173.3
[M+K]+	309.04360	164.0
[M+H-H2O]+	253.07770	149.2
[M+HCOO]-	315.07864	178.1
[M+CH3COO]-	329.09429	170.9
[M+Na-2H]-	291.05511	165.8
[M]+	270.07989	159.1
[M]-	270.08099	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe