CID 18925078

4-chloro-7-methoxy-quinazoline

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

COC1=CC2=C(C=C1)C(=NC=N2)Cl

InChI

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

InChIKey

GUQZHZBMDPEBQG-UHFFFAOYSA-N

Compound name

4-chloro-7-methoxyquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 334
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]+	195.03197	135.8
[M+Na]+	217.01391	147.3
[M-H]-	193.01741	138.0
[M+NH4]+	212.05851	154.9
[M+K]+	232.98785	143.1
[M+H-H2O]+	177.02195	129.0
[M+HCOO]-	239.02289	153.2
[M+CH3COO]-	253.03854	149.7
[M+Na-2H]-	214.99936	145.5
[M]+	194.02414	139.6
[M]-	194.02524	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe