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]+ 383.15208 189.9
[M+Na]+ 405.13402 199.0
[M-H]- 381.13752 195.2
[M+NH4]+ 400.17862 201.3
[M+K]+ 421.10796 192.0
[M+H-H2O]+ 365.14206 182.9
[M+HCOO]- 427.14300 201.5
[M+CH3COO]- 441.15865 198.5
[M+Na-2H]- 403.11947 194.9
[M]+ 382.14425 194.3
[M]- 382.14535 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.