CID 63367

1897-80-9

Structural Information

Molecular Formula

C₁₅H₁₁FN₂O

SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)F

InChI

InChI=1S/C15H11FN2O/c1-10-17-14-5-3-2-4-13(14)15(19)18(10)12-8-6-11(16)7-9-12/h2-9H,1H3

InChIKey

RONAQXGMJDYSJD-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 254.08554 Da
Monoisotopic Mass: 2.2
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]+	255.09282	155.5
[M+Na]+	277.07476	167.2
[M-H]-	253.07826	160.0
[M+NH4]+	272.11936	171.2
[M+K]+	293.04870	161.2
[M+H-H2O]+	237.08280	145.5
[M+HCOO]-	299.08374	175.9
[M+CH3COO]-	313.09939	168.1
[M+Na-2H]-	275.06021	162.6
[M]+	254.08499	155.8
[M]-	254.08609	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.