CID 15959203

Chembl377980

Structural Information

Molecular Formula
C22H23ClN2O2
SMILES
CCCCC12CC1(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C22H23ClN2O2/c1-2-3-11-21-14-22(21,19(26)24-13-15-7-5-4-6-8-15)20(27)25-18-10-9-16(23)12-17(18)21/h4-10,12H,2-3,11,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKey
USEREGWIQZTYGO-UHFFFAOYSA-N
Compound name
N-benzyl-7b-butyl-6-chloro-2-oxo-1,3-dihydrocyclopropa[c]quinoline-1a-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.1448 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.152076 189.9
[M+Na]+ 405.134018 199.0
[M-H]- 381.137524 195.2
[M+NH4]+ 400.178623 201.3
[M+K]+ 421.107958 192.0
[M+H-H2O]+ 365.142060 182.9
[M+HCOO]- 427.143001 201.5
[M+CH3COO]- 441.158651 198.5
[M+Na-2H]- 403.119466 194.9
[M]+ 382.14425142 194.3
[M]- 382.14534858 194.3
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.