CID 3008486

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

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(=O)C1=CC(=C2C(=C1C3CCCCC3)C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C17H18N2O3/c1-11(20)14-10-15(19(21)22)17-13(8-5-9-18-17)16(14)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3
InChIKey
HFCIHJQHZYQMTO-UHFFFAOYSA-N
Compound name
1-(5-cyclohexyl-8-nitroquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.13174 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 167.9
[M+Na]+ 321.12096 172.1
[M-H]- 297.12446 173.2
[M+NH4]+ 316.16556 181.2
[M+K]+ 337.09490 164.2
[M+H-H2O]+ 281.12900 163.4
[M+HCOO]- 343.12994 185.6
[M+CH3COO]- 357.14559 199.3
[M+Na-2H]- 319.10641 172.6
[M]+ 298.13119 162.9
[M]- 298.13229 162.9
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.