CID 63275

Brn 0705134

Structural Information

Molecular Formula

C₂₀H₁₄ClN₃O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC3=CC=CC=C3Cl)C4=CC=CC=N4

InChI

InChI=1S/C20H14ClN3O2/c21-15-8-2-4-10-17(15)26-13-19-23-16-9-3-1-7-14(16)20(25)24(19)18-11-5-6-12-22-18/h1-12H,13H2

InChIKey

IOKVONMAZODBNU-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.07745 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]+	364.084726	184.7
[M+Na]+	386.066668	195.5
[M-H]-	362.070174	191.1
[M+NH4]+	381.111273	194.2
[M+K]+	402.040608	187.3
[M+H-H2O]+	346.074710	172.4
[M+HCOO]-	408.075651	199.2
[M+CH3COO]-	422.091301	194.7
[M+Na-2H]-	384.052116	191.3
[M]+	363.07690142	188.7
[M]-	363.07799858	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.