CID 479045

1-cyclopropyl-6-fluoro-7-(4-hydroxybutylamino)-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H19FN2O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCCO)F)C(=O)O
InChI
InChI=1S/C17H19FN2O4/c18-13-7-11-15(8-14(13)19-5-1-2-6-21)20(10-3-4-10)9-12(16(11)22)17(23)24/h7-10,19,21H,1-6H2,(H,23,24)
InChIKey
COXRKJBSNFNYNM-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(4-hydroxybutylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13287 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14015 173.3
[M+Na]+ 357.12209 183.0
[M-H]- 333.12559 176.6
[M+NH4]+ 352.16669 180.9
[M+K]+ 373.09603 176.0
[M+H-H2O]+ 317.13013 164.9
[M+HCOO]- 379.13107 191.1
[M+CH3COO]- 393.14672 212.7
[M+Na-2H]- 355.10754 175.3
[M]+ 334.13232 176.8
[M]- 334.13342 176.8
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.