CID 15959180

Chembl209487

Structural Information

Molecular Formula
C19H24ClNO3
SMILES
CCCCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OCC
InChI
InChI=1S/C19H24ClNO3/c1-3-5-6-7-10-18-12-19(18,17(23)24-4-2)16(22)21-15-9-8-13(20)11-14(15)18/h8-9,11H,3-7,10,12H2,1-2H3,(H,21,22)
InChIKey
YKJNNNVZUUQNHM-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-7b-hexyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.14447 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.15175 184.1
[M+Na]+ 372.13369 193.9
[M-H]- 348.13719 186.7
[M+NH4]+ 367.17829 197.6
[M+K]+ 388.10763 187.9
[M+H-H2O]+ 332.14173 178.9
[M+HCOO]- 394.14267 194.2
[M+CH3COO]- 408.15832 212.5
[M+Na-2H]- 370.11914 187.9
[M]+ 349.14392 191.9
[M]- 349.14502 191.9
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.