CID 484124

Chembl142145

Structural Information

Molecular Formula

C₁₅H₁₃ClN₂O₂

SMILES

COC1=CC=CC(=C1)C2NC3=C(C=C(C=C3)Cl)C(=O)N2

InChI

InChI=1S/C15H13ClN2O2/c1-20-11-4-2-3-9(7-11)14-17-13-6-5-10(16)8-12(13)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)

InChIKey

IQFRWIHSBFGANK-UHFFFAOYSA-N

Compound name

6-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 288.06656 Da
Monoisotopic Mass: 3.2
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]+	289.073836	163.8
[M+Na]+	311.055778	173.1
[M-H]-	287.059284	165.9
[M+NH4]+	306.100383	177.3
[M+K]+	327.029718	165.6
[M+H-H2O]+	271.063820	155.8
[M+HCOO]-	333.064761	175.0
[M+CH3COO]-	347.080411	174.0
[M+Na-2H]-	309.041226	168.3
[M]+	288.06601142	162.3
[M]-	288.06710858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe