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]+ 285.123376 164.8
[M+Na]+ 307.105318 170.4
[M-H]- 283.108824 170.9
[M+NH4]+ 302.149923 180.7
[M+K]+ 323.079258 162.6
[M+H-H2O]+ 267.113360 161.4
[M+HCOO]- 329.114301 185.2
[M+CH3COO]- 343.129951 195.7
[M+Na-2H]- 305.090766 168.5
[M]+ 284.11555142 161.6
[M]- 284.11664858 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.