CID 25197399

1-cyclopropyl-7-[3-(diethylcarbamoyl)-1-piperidyl]-6-nitro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C23H28N4O6
SMILES
CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)[N+](=O)[O-]
InChI
InChI=1S/C23H28N4O6/c1-3-24(4-2)22(29)14-6-5-9-25(12-14)19-11-18-16(10-20(19)27(32)33)21(28)17(23(30)31)13-26(18)15-7-8-15/h10-11,13-15H,3-9,12H2,1-2H3,(H,30,31)
InChIKey
NOEILPNYMNHHED-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-[3-(diethylcarbamoyl)piperidin-1-yl]-6-nitro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

456.2009 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.20818 202.8
[M+Na]+ 479.19012 206.8
[M-H]- 455.19362 209.9
[M+NH4]+ 474.23472 203.6
[M+K]+ 495.16406 197.8
[M+H-H2O]+ 439.19816 197.7
[M+HCOO]- 501.19910 217.3
[M+CH3COO]- 515.21475 234.0
[M+Na-2H]- 477.17557 203.0
[M]+ 456.20035 203.1
[M]- 456.20145 203.1
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.