CID 15959186

Chembl211728

Structural Information

Molecular Formula

C₁₈H₂₀ClNO₃

SMILES

CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)C4CCCC4

InChI

InChI=1S/C18H20ClNO3/c1-2-23-16(22)18-10-17(18,11-5-3-4-6-11)13-9-12(19)7-8-14(13)20-15(18)21/h7-9,11H,2-6,10H2,1H3,(H,20,21)

InChIKey

JZAKCALIRFMPLL-UHFFFAOYSA-N

Compound name

ethyl 6-chloro-7b-cyclopentyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 333.11316 Da
Monoisotopic Mass: 4.1
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]+	334.120436	178.5
[M+Na]+	356.102378	188.1
[M-H]-	332.105884	184.0
[M+NH4]+	351.146983	193.7
[M+K]+	372.076318	182.0
[M+H-H2O]+	316.110420	173.3
[M+HCOO]-	378.111361	188.0
[M+CH3COO]-	392.127011	188.2
[M+Na-2H]-	354.087826	180.4
[M]+	333.11261142	181.4
[M]-	333.11370858	181.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.