CID 135659316

2-chloro-8-methoxyquinazolin-4(3h)-one

Structural Information

Molecular Formula

C₉H₇ClN₂O₂

SMILES

COC1=CC=CC2=C1N=C(NC2=O)Cl

InChI

InChI=1S/C9H7ClN2O2/c1-14-6-4-2-3-5-7(6)11-9(10)12-8(5)13/h2-4H,1H3,(H,11,12,13)

InChIKey

UBWUNMXPUUXQRB-UHFFFAOYSA-N

Compound name

2-chloro-8-methoxy-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 210.0196 Da
Monoisotopic Mass: 1.7
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]+	211.02688	139.2
[M+Na]+	233.00882	155.3
[M+NH4]+	228.05342	147.6
[M+K]+	248.98276	148.0
[M-H]-	209.01232	140.6
[M+Na-2H]-	230.99427	146.4
[M]+	210.01905	142.2
[M]-	210.02015	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe