CID 15959177

Chembl377229

Structural Information

Molecular Formula
C17H20ClNO3
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)OCC
InChI
InChI=1S/C17H20ClNO3/c1-3-5-8-16-10-17(16,15(21)22-4-2)14(20)19-13-7-6-11(18)9-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,20)
InChIKey
WJMBVUTWSWRSAI-UHFFFAOYSA-N
Compound name
ethyl 7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.11316 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12044 175.9
[M+Na]+ 344.10238 186.6
[M-H]- 320.10588 178.9
[M+NH4]+ 339.14698 190.5
[M+K]+ 360.07632 181.0
[M+H-H2O]+ 304.11042 171.0
[M+HCOO]- 366.11136 186.6
[M+CH3COO]- 380.12701 207.0
[M+Na-2H]- 342.08783 180.7
[M]+ 321.11261 183.0
[M]- 321.11371 183.0
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.