CID 7131261

2-chloro-3-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

CN1C(=O)C2=CC=CC=C2N=C1Cl

InChI

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

InChIKey

IDNBSWSOGBWEAT-UHFFFAOYSA-N

Compound name

2-chloro-3-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 194.02469 Da
Monoisotopic Mass: 1.9
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	135.2
[M+Na]+	217.01391	147.9
[M-H]-	193.01741	137.8
[M+NH4]+	212.05851	154.6
[M+K]+	232.98785	143.1
[M+H-H2O]+	177.02195	128.7
[M+HCOO]-	239.02289	152.7
[M+CH3COO]-	253.03854	149.4
[M+Na-2H]-	214.99936	144.1
[M]+	194.02414	138.7
[M]-	194.02524	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe