CID 15954076

4-ethyl-5-hexoxy-6-methoxy-8-nitro-quinoline

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)[N+](=O)[O-])OC
InChI
InChI=1S/C18H24N2O4/c1-4-6-7-8-11-24-18-15(23-3)12-14(20(21)22)17-16(18)13(5-2)9-10-19-17/h9-10,12H,4-8,11H2,1-3H3
InChIKey
WFMAFRMWEFSDLC-UHFFFAOYSA-N
Compound name
4-ethyl-5-hexoxy-6-methoxy-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1736 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 180.8
[M+Na]+ 355.16282 187.4
[M-H]- 331.16632 183.7
[M+NH4]+ 350.20742 194.0
[M+K]+ 371.13676 179.9
[M+H-H2O]+ 315.17086 176.8
[M+HCOO]- 377.17180 202.1
[M+CH3COO]- 391.18745 208.7
[M+Na-2H]- 353.14827 185.9
[M]+ 332.17305 186.1
[M]- 332.17415 186.1
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.