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]+ 329.149576 177.2
[M+Na]+ 351.131518 182.5
[M-H]- 327.135024 183.3
[M+NH4]+ 346.176123 191.5
[M+K]+ 367.105458 175.0
[M+H-H2O]+ 311.139560 173.5
[M+HCOO]- 373.140501 197.0
[M+CH3COO]- 387.156151 204.9
[M+Na-2H]- 349.116966 179.5
[M]+ 328.14175142 176.4
[M]- 328.14284858 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.