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]+ 333.180876 180.8
[M+Na]+ 355.162818 187.4
[M-H]- 331.166324 183.7
[M+NH4]+ 350.207423 194.0
[M+K]+ 371.136758 179.9
[M+H-H2O]+ 315.170860 176.8
[M+HCOO]- 377.171801 202.1
[M+CH3COO]- 391.187451 208.7
[M+Na-2H]- 353.148266 185.9
[M]+ 332.17305142 186.1
[M]- 332.17414858 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.