CID 3008484

1-(5-cyclopentyl-8-nitro-6-quinolyl)ethanone

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC(=O)C1=CC(=C2C(=C1C3CCCC3)C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O3/c1-10(19)13-9-14(18(20)21)16-12(7-4-8-17-16)15(13)11-5-2-3-6-11/h4,7-9,11H,2-3,5-6H2,1H3
InChIKey
SRHFJOGVBCSTLE-UHFFFAOYSA-N
Compound name
1-(5-cyclopentyl-8-nitroquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1161 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 164.8
[M+Na]+ 307.10532 170.4
[M-H]- 283.10882 170.9
[M+NH4]+ 302.14992 180.7
[M+K]+ 323.07926 162.6
[M+H-H2O]+ 267.11336 161.4
[M+HCOO]- 329.11430 185.2
[M+CH3COO]- 343.12995 195.7
[M+Na-2H]- 305.09077 168.5
[M]+ 284.11555 161.6
[M]- 284.11665 161.6
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.