CID 15959187

Chembl379208

Structural Information

Molecular Formula
C19H22ClNO3
SMILES
CCOC(=O)C12CC1(C3=C(C=CC(=C3)Cl)NC2=O)C4CCCCC4
InChI
InChI=1S/C19H22ClNO3/c1-2-24-17(23)19-11-18(19,12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-16(19)22/h8-10,12H,2-7,11H2,1H3,(H,21,22)
InChIKey
DVSDTEGCUCSBLW-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-7b-cyclohexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.1288 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13608 182.9
[M+Na]+ 370.11802 191.2
[M-H]- 346.12152 187.8
[M+NH4]+ 365.16262 195.7
[M+K]+ 386.09196 185.8
[M+H-H2O]+ 330.12606 176.4
[M+HCOO]- 392.12700 190.2
[M+CH3COO]- 406.14265 191.5
[M+Na-2H]- 368.10347 185.9
[M]+ 347.12825 184.2
[M]- 347.12935 184.2
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.