CID 10262052

4-chloro-8-methoxyquinazoline

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

COC1=CC=CC2=C1N=CN=C2Cl

InChI

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

InChIKey

BIGSOYZPKXOBJZ-UHFFFAOYSA-N

Compound name

4-chloro-8-methoxyquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 194.02469 Da
Monoisotopic Mass: 2.5
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]+	195.031966	135.8
[M+Na]+	217.013908	147.3
[M-H]-	193.017414	138.0
[M+NH4]+	212.058513	154.9
[M+K]+	232.987848	143.1
[M+H-H2O]+	177.021950	129.0
[M+HCOO]-	239.022891	153.2
[M+CH3COO]-	253.038541	149.7
[M+Na-2H]-	214.999356	145.5
[M]+	194.02414142	139.6
[M]-	194.02523858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe