CID 479031

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

Structural Information

Molecular Formula
C17H19FN2O4
SMILES
COCCCNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F
InChI
InChI=1S/C17H19FN2O4/c1-24-6-2-5-19-14-8-15-11(7-13(14)18)16(21)12(17(22)23)9-20(15)10-3-4-10/h7-10,19H,2-6H2,1H3,(H,22,23)
InChIKey
AEUMUHJAKZLPIL-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(3-methoxypropylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.13287 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14015 174.8
[M+Na]+ 357.12209 184.9
[M-H]- 333.12559 179.4
[M+NH4]+ 352.16669 183.1
[M+K]+ 373.09603 178.7
[M+H-H2O]+ 317.13013 166.0
[M+HCOO]- 379.13107 194.0
[M+CH3COO]- 393.14672 214.9
[M+Na-2H]- 355.10754 177.1
[M]+ 334.13232 179.9
[M]- 334.13342 179.9
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.