CID 727468

Ethyl 4-chloro-6-ethoxyquinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₃

SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)Cl

InChI

InChI=1S/C14H14ClNO3/c1-3-18-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)19-4-2/h5-8H,3-4H2,1-2H3

InChIKey

SSOGSEBLCQKKNR-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-6-ethoxyquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 279.06622 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]+	280.073496	159.2
[M+Na]+	302.055438	169.3
[M-H]-	278.058944	162.6
[M+NH4]+	297.100043	176.3
[M+K]+	318.029378	165.2
[M+H-H2O]+	262.063480	152.6
[M+HCOO]-	324.064421	175.9
[M+CH3COO]-	338.080071	199.1
[M+Na-2H]-	300.040886	164.4
[M]+	279.06567142	166.3
[M]-	279.06676858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe