CID 63117

4(3h)-quinazolinone, 2-ethyl-3-(o-tolyl)-

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

CCC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C17H16N2O/c1-3-16-18-14-10-6-5-9-13(14)17(20)19(16)15-11-7-4-8-12(15)2/h4-11H,3H2,1-2H3

InChIKey

UDHZAVFITRXCIU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 264.12625 Da
Monoisotopic Mass: 3.0
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]+	265.13353	161.3
[M+Na]+	287.11547	179.3
[M+NH4]+	282.16007	170.3
[M+K]+	303.08941	169.9
[M-H]-	263.11897	166.4
[M+Na-2H]-	285.10092	171.3
[M]+	264.12570	165.6
[M]-	264.12680	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe