CID 2117530

3-amino-7-chloro-2-methylquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₉H₈ClN₃O

SMILES

CC1=NC2=C(C=CC(=C2)Cl)C(=O)N1N

InChI

InChI=1S/C9H8ClN3O/c1-5-12-8-4-6(10)2-3-7(8)9(14)13(5)11/h2-4H,11H2,1H3

InChIKey

GINCQOASZXXVEB-UHFFFAOYSA-N

Compound name

3-amino-7-chloro-2-methylquinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 209.03558 Da
Monoisotopic Mass: 0.8
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]+	210.04286	139.9
[M+Na]+	232.02480	155.8
[M+NH4]+	227.06940	148.6
[M+K]+	247.99874	148.5
[M-H]-	208.02830	142.4
[M+Na-2H]-	230.01025	147.1
[M]+	209.03503	143.2
[M]-	209.03613	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe