CID 3008500

1-[5-(cyclopentoxy)-4-ethyl-8-nitro-6-quinolyl]ethanone

Structural Information

Molecular Formula
C18H20N2O4
SMILES
CCC1=C2C(=C(C=C(C2=NC=C1)[N+](=O)[O-])C(=O)C)OC3CCCC3
InChI
InChI=1S/C18H20N2O4/c1-3-12-8-9-19-17-15(20(22)23)10-14(11(2)21)18(16(12)17)24-13-6-4-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKey
MZUYVAKTDJMNPL-UHFFFAOYSA-N
Compound name
1-(5-cyclopentyloxy-4-ethyl-8-nitroquinolin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.1423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14958 177.2
[M+Na]+ 351.13152 182.5
[M-H]- 327.13502 183.3
[M+NH4]+ 346.17612 191.5
[M+K]+ 367.10546 175.0
[M+H-H2O]+ 311.13956 173.5
[M+HCOO]- 373.14050 197.0
[M+CH3COO]- 387.15615 204.9
[M+Na-2H]- 349.11697 179.5
[M]+ 328.14175 176.4
[M]- 328.14285 176.4
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.