CID 3008485

1-(2,5-dicyclopentyl-8-nitro-6-quinolyl)ethanone

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CC(=O)C1=CC(=C2C(=C1C3CCCC3)C=CC(=N2)C4CCCC4)[N+](=O)[O-]
InChI
InChI=1S/C21H24N2O3/c1-13(24)17-12-19(23(25)26)21-16(20(17)15-8-4-5-9-15)10-11-18(22-21)14-6-2-3-7-14/h10-12,14-15H,2-9H2,1H3
InChIKey
FDQZOKJJUUPEKW-UHFFFAOYSA-N
Compound name
1-(2,5-dicyclopentyl-8-nitroquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17868 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 186.7
[M+Na]+ 375.167898 189.5
[M-H]- 351.171404 195.3
[M+NH4]+ 370.212503 201.1
[M+K]+ 391.141838 180.9
[M+H-H2O]+ 335.175940 182.7
[M+HCOO]- 397.176881 204.3
[M+CH3COO]- 411.192531 208.6
[M+Na-2H]- 373.153346 184.7
[M]+ 352.17813142 180.8
[M]- 352.17922858 180.8
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.