CID 3008502

1-(4-ethyl-5-hexoxy-8-nitro-6-quinolyl)ethanone

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C19H24N2O4/c1-4-6-7-8-11-25-19-15(13(3)22)12-16(21(23)24)18-17(19)14(5-2)9-10-20-18/h9-10,12H,4-8,11H2,1-3H3
InChIKey
NWOBCABEVJKAMC-UHFFFAOYSA-N
Compound name
1-(4-ethyl-5-hexoxy-8-nitroquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.1736 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 183.8
[M+Na]+ 367.16282 189.9
[M-H]- 343.16632 186.6
[M+NH4]+ 362.20742 196.3
[M+K]+ 383.13676 182.2
[M+H-H2O]+ 327.17086 179.9
[M+HCOO]- 389.17180 204.0
[M+CH3COO]- 403.18745 211.5
[M+Na-2H]- 365.14827 187.3
[M]+ 344.17305 188.1
[M]- 344.17415 188.1
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.