CID 24698979

Ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₄

SMILES

CCOC(=O)C1=CN=C2C(=CC(=CC2=C1Cl)OC)OC

InChI

InChI=1S/C14H14ClNO4/c1-4-20-14(17)10-7-16-13-9(12(10)15)5-8(18-2)6-11(13)19-3/h5-7H,4H2,1-3H3

InChIKey

DSGVVCRDDXQCTD-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.06113 Da
Monoisotopic Mass: 3.0
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]+	296.068406	161.4
[M+Na]+	318.050348	172.3
[M-H]-	294.053854	165.3
[M+NH4]+	313.094953	178.2
[M+K]+	334.024288	168.9
[M+H-H2O]+	278.058390	154.9
[M+HCOO]-	340.059331	178.4
[M+CH3COO]-	354.074981	202.4
[M+Na-2H]-	316.035796	166.1
[M]+	295.06058142	170.5
[M]-	295.06167858	170.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe