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]+ 353.18596 186.7
[M+Na]+ 375.16790 189.5
[M-H]- 351.17140 195.3
[M+NH4]+ 370.21250 201.1
[M+K]+ 391.14184 180.9
[M+H-H2O]+ 335.17594 182.7
[M+HCOO]- 397.17688 204.3
[M+CH3COO]- 411.19253 208.6
[M+Na-2H]- 373.15335 184.7
[M]+ 352.17813 180.8
[M]- 352.17923 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.