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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12044 178.5
[M+Na]+ 356.10238 188.1
[M-H]- 332.10588 184.0
[M+NH4]+ 351.14698 193.7
[M+K]+ 372.07632 182.0
[M+H-H2O]+ 316.11042 173.3
[M+HCOO]- 378.11136 188.0
[M+CH3COO]- 392.12701 188.2
[M+Na-2H]- 354.08783 180.4
[M]+ 333.11261 181.4
[M]- 333.11371 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.