CID 15959198

Chembl211781

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NCC
InChI
InChI=1S/C17H21ClN2O2/c1-3-5-8-16-10-17(16,14(21)19-4-2)15(22)20-13-7-6-11(18)9-12(13)16/h6-7,9H,3-5,8,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
FYJLHTIMTHYPFO-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-N-ethyl-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.12915 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 174.8
[M+Na]+ 343.11837 184.9
[M-H]- 319.12187 177.7
[M+NH4]+ 338.16297 189.2
[M+K]+ 359.09231 178.6
[M+H-H2O]+ 303.12641 170.1
[M+HCOO]- 365.12735 186.5
[M+CH3COO]- 379.14300 209.8
[M+Na-2H]- 341.10382 180.1
[M]+ 320.12860 180.0
[M]- 320.12970 180.0
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.