CID 300572

Mls002702066

Structural Information

Molecular Formula

C₂₁H₁₈N₂O₂

SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H18N2O2/c24-21-18-11-4-5-12-19(18)22-20(23-21)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)

InChIKey

UFQXXOKTNXKMSO-UHFFFAOYSA-N

Compound name

2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 330.13684 Da
Monoisotopic Mass: 4.0
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]+	331.144116	178.8
[M+Na]+	353.126058	184.8
[M-H]-	329.129564	183.2
[M+NH4]+	348.170663	188.5
[M+K]+	369.099998	176.7
[M+H-H2O]+	313.134100	167.7
[M+HCOO]-	375.135041	193.5
[M+CH3COO]-	389.150691	187.1
[M+Na-2H]-	351.111506	183.6
[M]+	330.13629142	173.8
[M]-	330.13738858	173.8

Literature stripe

literature stripe

Patent stripe

patents stripe