CID 9999997

Ethyl 2-(2-amino-5,6-dichloro-4h-quinazolin-3-yl)acetate;hydrobromide

Structural Information

Molecular Formula

C₁₂H₁₃Cl₂N₃O₂

SMILES

CCOC(=O)CN1CC2=C(C=CC(=C2Cl)Cl)N=C1N

InChI

InChI=1S/C12H13Cl2N3O2/c1-2-19-10(18)6-17-5-7-9(16-12(17)15)4-3-8(13)11(7)14/h3-4H,2,5-6H2,1H3,(H2,15,16)

InChIKey

PLLYNUUCBINGLY-UHFFFAOYSA-N

Compound name

ethyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 301.03848 Da
Monoisotopic Mass: 1.9
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]+	302.045756	163.3
[M+Na]+	324.027698	173.6
[M-H]-	300.031204	164.2
[M+NH4]+	319.072303	178.3
[M+K]+	340.001638	168.0
[M+H-H2O]+	284.035740	156.9
[M+HCOO]-	346.036681	173.0
[M+CH3COO]-	360.052331	204.1
[M+Na-2H]-	322.013146	166.4
[M]+	301.03793142	167.1
[M]-	301.03902858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe