CID 2728269

52395-03-6

Structural Information

Molecular Formula

C₁₅H₁₃ClN₂O

SMILES

CN1C=NC(C2=C1C=CC(=C2)Cl)(C3=CC=CC=C3)O

InChI

InChI=1S/C15H13ClN2O/c1-18-10-17-15(19,11-5-3-2-4-6-11)13-9-12(16)7-8-14(13)18/h2-10,19H,1H3

InChIKey

CSBLLGPLUMFHQN-UHFFFAOYSA-N

Compound name

6-chloro-1-methyl-4-phenylquinazolin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 272.07166 Da
Monoisotopic Mass: 2.5
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]+	273.07894	159.9
[M+Na]+	295.06088	170.6
[M-H]-	271.06438	163.8
[M+NH4]+	290.10548	176.8
[M+K]+	311.03482	163.9
[M+H-H2O]+	255.06892	151.6
[M+HCOO]-	317.06986	173.7
[M+CH3COO]-	331.08551	171.5
[M+Na-2H]-	293.04633	167.5
[M]+	272.07111	160.8
[M]-	272.07221	160.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.