CID 15954081

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

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CCCCCCCOC1=C(C=C(C2=NC=CC(=C12)CC)[N+](=O)[O-])OC
InChI
InChI=1S/C19H26N2O4/c1-4-6-7-8-9-12-25-19-16(24-3)13-15(21(22)23)18-17(19)14(5-2)10-11-20-18/h10-11,13H,4-9,12H2,1-3H3
InChIKey
BXKGIYQAOWYHQN-UHFFFAOYSA-N
Compound name
4-ethyl-5-heptoxy-6-methoxy-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.18927 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 185.6
[M+Na]+ 369.17849 191.7
[M-H]- 345.18199 188.3
[M+NH4]+ 364.22309 198.2
[M+K]+ 385.15243 184.1
[M+H-H2O]+ 329.18653 181.3
[M+HCOO]- 391.18747 206.6
[M+CH3COO]- 405.20312 211.7
[M+Na-2H]- 367.16394 190.2
[M]+ 346.18872 191.2
[M]- 346.18982 191.2
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.