CID 520327

2,4-dichloro-6,7-dimethoxyquinazoline

Structural Information

Molecular Formula

C₁₀H₈Cl₂N₂O₂

SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OC

InChI

InChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3

InChIKey

DGHKCBSVAZXEPP-UHFFFAOYSA-N

Compound name

2,4-dichloro-6,7-dimethoxyquinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 564
Patents: 257.99628 Da
Monoisotopic Mass: 3.4
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]+	259.00356	148.3
[M+Na]+	280.98550	161.3
[M-H]-	256.98900	150.3
[M+NH4]+	276.03010	165.7
[M+K]+	296.95944	156.4
[M+H-H2O]+	240.99354	142.1
[M+HCOO]-	302.99448	160.3
[M+CH3COO]-	317.01013	194.1
[M+Na-2H]-	278.97095	155.2
[M]+	257.99573	155.6
[M]-	257.99683	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe