CID 1921862

355420-67-6

Structural Information

Molecular Formula

C₂₆H₂₀ClNO₄

SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H20ClNO4/c1-16-3-5-17(6-4-16)24-14-22(21-13-19(27)9-12-23(21)28-24)26(30)32-15-25(29)18-7-10-20(31-2)11-8-18/h3-14H,15H2,1-2H3

InChIKey

BDOCQXJDMLFTTL-UHFFFAOYSA-N

Compound name

[2-(4-methoxyphenyl)-2-oxoethyl] 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 445.1081 Da
Monoisotopic Mass: 6.1
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]+	446.115376	206.2
[M+Na]+	468.097318	214.5
[M-H]-	444.100824	215.3
[M+NH4]+	463.141923	215.1
[M+K]+	484.071258	208.2
[M+H-H2O]+	428.105360	195.1
[M+HCOO]-	490.106301	220.2
[M+CH3COO]-	504.121951	231.2
[M+Na-2H]-	466.082766	207.0
[M]+	445.10755142	212.9
[M]-	445.10864858	212.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.