CID 479012

1-cyclopropyl-7-(2,2-diethoxyethylamino)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C19H23FN2O5
SMILES
CCOC(CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F)OCC
InChI
InChI=1S/C19H23FN2O5/c1-3-26-17(27-4-2)9-21-15-8-16-12(7-14(15)20)18(23)13(19(24)25)10-22(16)11-5-6-11/h7-8,10-11,17,21H,3-6,9H2,1-2H3,(H,24,25)
InChIKey
ATWFUCIPIKBBQK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-7-(2,2-diethoxyethylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.1591 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16638 185.5
[M+Na]+ 401.14832 194.1
[M-H]- 377.15182 189.7
[M+NH4]+ 396.19292 191.8
[M+K]+ 417.12226 188.7
[M+H-H2O]+ 361.15636 176.4
[M+HCOO]- 423.15730 203.1
[M+CH3COO]- 437.17295 223.5
[M+Na-2H]- 399.13377 185.8
[M]+ 378.15855 192.1
[M]- 378.15965 192.1
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.