CID 1929780

2-oxo-2-phenylethyl 6-chloro-2-(4-chlorophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula

C₂₄H₁₅Cl₂NO₃

SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H15Cl2NO3/c25-17-8-6-15(7-9-17)22-13-20(19-12-18(26)10-11-21(19)27-22)24(29)30-14-23(28)16-4-2-1-3-5-16/h1-13H,14H2

InChIKey

JMIJHWYXBKGSDO-UHFFFAOYSA-N

Compound name

phenacyl 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 435.0429 Da
Monoisotopic Mass: 6.4
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]+	436.050176	198.5
[M+Na]+	458.032118	207.6
[M-H]-	434.035624	206.8
[M+NH4]+	453.076723	208.4
[M+K]+	474.006058	199.9
[M+H-H2O]+	418.040160	188.5
[M+HCOO]-	480.041101	208.2
[M+CH3COO]-	494.056751	207.6
[M+Na-2H]-	456.017566	200.4
[M]+	435.04235142	204.5
[M]-	435.04344858	204.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.