CID 63240

49579-00-2

Structural Information

Molecular Formula

C₁₅H₁₁FN₂O

SMILES

CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=CC=C3

InChI

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

InChIKey

RVFMPCRWAKDPTL-UHFFFAOYSA-N

Compound name

6-fluoro-2-methyl-3-phenylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	156.5
[M+Na]+	277.07476	173.7
[M+NH4]+	272.11936	164.9
[M+K]+	293.04870	164.9
[M-H]-	253.07826	160.0
[M+Na-2H]-	275.06021	166.0
[M]+	254.08499	160.1
[M]-	254.08609	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe