CID 15959179

Chembl210506

Structural Information

Molecular Formula
C18H22ClNO3
SMILES
CCCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OCC
InChI
InChI=1S/C18H22ClNO3/c1-3-5-6-9-17-11-18(17,16(22)23-4-2)15(21)20-14-8-7-12(19)10-13(14)17/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,21)
InChIKey
RIIFUZISBGVLON-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-2-oxo-7b-pentyl-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.1288 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13608 180.0
[M+Na]+ 358.11802 190.3
[M-H]- 334.12152 182.8
[M+NH4]+ 353.16262 194.0
[M+K]+ 374.09196 184.4
[M+H-H2O]+ 318.12606 174.9
[M+HCOO]- 380.12700 190.4
[M+CH3COO]- 394.14265 209.8
[M+Na-2H]- 356.10347 184.3
[M]+ 335.12825 187.5
[M]- 335.12935 187.5
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.