CID 63137

4(3h)-quinazolinone, 3-(p-methoxyphenyl)-2-methyl-

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C16H14N2O2/c1-11-17-15-6-4-3-5-14(15)16(19)18(11)12-7-9-13(20-2)10-8-12/h3-10H,1-2H3

InChIKey

HYFHLYFDILRUDK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 266.10553 Da
Monoisotopic Mass: 2.1
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]+	267.112806	160.3
[M+Na]+	289.094748	171.3
[M-H]-	265.098254	166.0
[M+NH4]+	284.139353	175.4
[M+K]+	305.068688	166.3
[M+H-H2O]+	249.102790	150.8
[M+HCOO]-	311.103731	181.5
[M+CH3COO]-	325.119381	172.9
[M+Na-2H]-	287.080196	167.5
[M]+	266.10498142	163.4
[M]-	266.10607858	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe