CID 63205

16064-09-8

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

CN1C=NC2=C(C1=O)C=C(C=C2)Cl

InChI

InChI=1S/C9H7ClN2O/c1-12-5-11-8-3-2-6(10)4-7(8)9(12)13/h2-5H,1H3

InChIKey

BUKIKWILDICXKB-UHFFFAOYSA-N

Compound name

6-chloro-3-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 194.02469 Da
Monoisotopic Mass: 1.3
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]+	195.03197	135.5
[M+Na]+	217.01391	152.7
[M+NH4]+	212.05851	144.9
[M+K]+	232.98785	144.6
[M-H]-	193.01741	137.9
[M+Na-2H]-	214.99936	143.9
[M]+	194.02414	139.1
[M]-	194.02524	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe