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]+ 291.13393 165.6
[M+Na]+ 313.11587 173.3
[M-H]- 289.11937 169.2
[M+NH4]+ 308.16047 180.5
[M+K]+ 329.08981 167.1
[M+H-H2O]+ 273.12391 162.5
[M+HCOO]- 335.12485 187.1
[M+CH3COO]- 349.14050 200.4
[M+Na-2H]- 311.10132 171.3
[M]+ 290.12610 169.3
[M]- 290.12720 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.