CID 5004877

22311-74-6

Structural Information

Molecular Formula

C₂₀H₁₅NO₂

SMILES

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

InChI

InChI=1S/C20H15NO2/c22-20(23)18-15-8-4-5-9-17(15)21-19-14(10-11-16(18)19)12-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,22,23)

InChIKey

YOJABMSUQZRPTE-UHFFFAOYSA-N

Compound name

3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.1103 Da
Monoisotopic Mass: 3.9
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]+	302.117576	170.3
[M+Na]+	324.099518	178.3
[M-H]-	300.103024	176.2
[M+NH4]+	319.144123	186.8
[M+K]+	340.073458	171.4
[M+H-H2O]+	284.107560	162.1
[M+HCOO]-	346.108501	188.3
[M+CH3COO]-	360.124151	181.1
[M+Na-2H]-	322.084966	173.5
[M]+	301.10975142	168.7
[M]-	301.11084858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.