CID 15954083

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

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CCC1=C2C(=C(C=C(C2=NC=C1)[N+](=O)[O-])OC)OC(C)C
InChI
InChI=1S/C15H18N2O4/c1-5-10-6-7-16-14-11(17(18)19)8-12(20-4)15(13(10)14)21-9(2)3/h6-9H,5H2,1-4H3
InChIKey
RXFGNAQRTXRNDA-UHFFFAOYSA-N
Compound name
4-ethyl-6-methoxy-8-nitro-5-propan-2-yloxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.12665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.133926 165.6
[M+Na]+ 313.115868 173.3
[M-H]- 289.119374 169.2
[M+NH4]+ 308.160473 180.5
[M+K]+ 329.089808 167.1
[M+H-H2O]+ 273.123910 162.5
[M+HCOO]- 335.124851 187.1
[M+CH3COO]- 349.140501 200.4
[M+Na-2H]- 311.101316 171.3
[M]+ 290.12610142 169.3
[M]- 290.12719858 169.3
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.