CID 15959199

Chembl211832

Structural Information

Molecular Formula
C18H21ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NCC=C
InChI
InChI=1S/C18H21ClN2O2/c1-3-5-8-17-11-18(17,15(22)20-9-4-2)16(23)21-14-7-6-12(19)10-13(14)17/h4,6-7,10H,2-3,5,8-9,11H2,1H3,(H,20,22)(H,21,23)
InChIKey
NAJDLTVBVFOJIO-UHFFFAOYSA-N
Compound name
7b-butyl-6-chloro-2-oxo-N-prop-2-enyl-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.12915 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13643 178.2
[M+Na]+ 355.11837 188.1
[M-H]- 331.12187 180.9
[M+NH4]+ 350.16297 192.0
[M+K]+ 371.09231 181.0
[M+H-H2O]+ 315.12641 173.3
[M+HCOO]- 377.12735 189.7
[M+CH3COO]- 391.14300 211.9
[M+Na-2H]- 353.10382 183.0
[M]+ 332.12860 183.0
[M]- 332.12970 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.