CID 135875707

5-chloro-2-methylquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

CC1=NC2=C(C(=CC=C2)Cl)C(=O)N1

InChI

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

InChIKey

GKDIFKSYPXLUJS-UHFFFAOYSA-N

Compound name

5-chloro-2-methyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 14
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	136.1
[M+Na]+	217.01391	152.7
[M+NH4]+	212.05851	145.1
[M+K]+	232.98785	144.9
[M-H]-	193.01741	138.0
[M+Na-2H]-	214.99936	143.8
[M]+	194.02414	139.4
[M]-	194.02524	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe