CID 3008487

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

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC(=O)C1=CC(=C2C(=C1C3CCCCC3)C=CC(=N2)C4CCCCC4)[N+](=O)[O-]
InChI
InChI=1S/C23H28N2O3/c1-15(26)19-14-21(25(27)28)23-18(22(19)17-10-6-3-7-11-17)12-13-20(24-23)16-8-4-2-5-9-16/h12-14,16-17H,2-11H2,1H3
InChIKey
FMRHRCDFYYPQIN-UHFFFAOYSA-N
Compound name
1-(2,5-dicyclohexyl-8-nitroquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.21 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 192.6
[M+Na]+ 403.19922 192.8
[M-H]- 379.20272 199.2
[M+NH4]+ 398.24382 201.6
[M+K]+ 419.17316 183.7
[M+H-H2O]+ 363.20726 185.9
[M+HCOO]- 425.20820 204.9
[M+CH3COO]- 439.22385 215.8
[M+Na-2H]- 401.18467 192.7
[M]+ 380.20945 182.9
[M]- 380.21055 182.9
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.