CID 63235

37107-06-5

Structural Information

Molecular Formula

C₁₆H₁₃FN₂O

SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CF

InChI

InChI=1S/C16H13FN2O/c1-11-6-2-5-9-14(11)19-15(10-17)18-13-8-4-3-7-12(13)16(19)20/h2-9H,10H2,1H3

InChIKey

PNTJUXFZMHTXRO-UHFFFAOYSA-N

Compound name

2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 268.1012 Da
Monoisotopic Mass: 2.9
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]+	269.10848	160.2
[M+Na]+	291.09042	171.4
[M-H]-	267.09392	164.5
[M+NH4]+	286.13502	175.3
[M+K]+	307.06436	165.2
[M+H-H2O]+	251.09846	149.9
[M+HCOO]-	313.09940	180.2
[M+CH3COO]-	327.11505	172.3
[M+Na-2H]-	289.07587	166.7
[M]+	268.10065	160.8
[M]-	268.10175	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe