CID 3009589

1-cyclopentyl-7-(cyclopentylamino)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H23FN2O3
SMILES
C1CCC(C1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CCCC4)F
InChI
InChI=1S/C20H23FN2O3/c21-16-9-14-18(10-17(16)22-12-5-1-2-6-12)23(13-7-3-4-8-13)11-15(19(14)24)20(25)26/h9-13,22H,1-8H2,(H,25,26)
InChIKey
XDSCTKMVPHKOOO-UHFFFAOYSA-N
Compound name
1-cyclopentyl-7-(cyclopentylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.16928 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17656 182.5
[M+Na]+ 381.15850 187.8
[M-H]- 357.16200 189.3
[M+NH4]+ 376.20310 197.1
[M+K]+ 397.13244 182.3
[M+H-H2O]+ 341.16654 173.9
[M+HCOO]- 403.16748 198.8
[M+CH3COO]- 417.18313 191.7
[M+Na-2H]- 379.14395 178.5
[M]+ 358.16873 177.2
[M]- 358.16983 177.2
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.