CID 18932800

4,6-dichloro-7-methoxyquinazoline

Structural Information

Molecular Formula

C₉H₆Cl₂N₂O

SMILES

COC1=C(C=C2C(=C1)N=CN=C2Cl)Cl

InChI

InChI=1S/C9H6Cl2N2O/c1-14-8-3-7-5(2-6(8)10)9(11)13-4-12-7/h2-4H,1H3

InChIKey

PHWAMXVPMNPOIU-UHFFFAOYSA-N

Compound name

4,6-dichloro-7-methoxyquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 227.98572 Da
Monoisotopic Mass: 3.1
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]+	228.99300	142.0
[M+Na]+	250.97494	159.5
[M+NH4]+	246.01954	151.6
[M+K]+	266.94888	150.8
[M-H]-	226.97844	144.4
[M+Na-2H]-	248.96039	150.3
[M]+	227.98517	146.0
[M]-	227.98627	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe