CID 63760

Brn 0819661

Structural Information

Molecular Formula

C₁₅H₁₀Cl₂N₂O₂

SMILES

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

InChI

InChI=1S/C15H10Cl2N2O2/c1-8-18-13-5-3-2-4-10(13)15(21)19(8)9-6-11(16)14(20)12(17)7-9/h2-7,20H,1H3

InChIKey

SXIQCSQOGIZMFV-UHFFFAOYSA-N

Compound name

3-(3,5-dichloro-4-hydroxyphenyl)-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.01193 Da
Monoisotopic Mass: 3.0
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]+	321.019206	166.7
[M+Na]+	343.001148	180.4
[M-H]-	319.004654	170.8
[M+NH4]+	338.045753	180.9
[M+K]+	358.975088	172.7
[M+H-H2O]+	303.009190	159.2
[M+HCOO]-	365.010131	177.0
[M+CH3COO]-	379.025781	178.5
[M+Na-2H]-	340.986596	171.3
[M]+	320.01138142	171.9
[M]-	320.01247858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.