CID 75481323

Ethyl 4-chloro-8-methoxy-3-methylquinoline-2-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₃

SMILES

CCOC(=O)C1=NC2=C(C=CC=C2OC)C(=C1C)Cl

InChI

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

InChIKey

LTZOKPZKUFXXIF-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-8-methoxy-3-methylquinoline-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.06622 Da
Monoisotopic Mass: 3.7
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	158.8
[M+Na]+	302.055438	169.9
[M-H]-	278.058944	162.7
[M+NH4]+	297.100043	176.3
[M+K]+	318.029378	165.8
[M+H-H2O]+	262.063480	152.5
[M+HCOO]-	324.064421	175.5
[M+CH3COO]-	338.080071	200.3
[M+Na-2H]-	300.040886	163.3
[M]+	279.06567142	166.4
[M]-	279.06676858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.