CID 4637308

3-(4-chloro-benzylidene)-2,3-dihydro-1h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula

C₂₀H₁₄ClNO₂

SMILES

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H14ClNO2/c21-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)22-19(13)16/h1-6,8-9,11H,7,10H2,(H,23,24)

InChIKey

KVJSBURZPOBEQI-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.07132 Da
Monoisotopic Mass: 4.6
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]+	336.078596	178.0
[M+Na]+	358.060538	187.8
[M-H]-	334.064044	184.0
[M+NH4]+	353.105143	194.3
[M+K]+	374.034478	179.4
[M+H-H2O]+	318.068580	170.5
[M+HCOO]-	380.069521	191.4
[M+CH3COO]-	394.085171	188.7
[M+Na-2H]-	356.045986	179.9
[M]+	335.07077142	179.2
[M]-	335.07186858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.