CID 479030

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

Structural Information

Molecular Formula
C16H17FN2O4
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)NCCCO)F)C(=O)O
InChI
InChI=1S/C16H17FN2O4/c17-12-6-10-14(7-13(12)18-4-1-5-20)19(9-2-3-9)8-11(15(10)21)16(22)23/h6-9,18,20H,1-5H2,(H,22,23)
InChIKey
XTWVZBACBJUNNZ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-6-fluoro-7-(3-hydroxypropylamino)-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.11725 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12453 169.1
[M+Na]+ 343.10647 179.3
[M-H]- 319.10997 172.7
[M+NH4]+ 338.15107 177.4
[M+K]+ 359.08041 172.5
[M+H-H2O]+ 303.11451 161.0
[M+HCOO]- 365.11545 187.3
[M+CH3COO]- 379.13110 209.9
[M+Na-2H]- 341.09192 171.7
[M]+ 320.11670 172.3
[M]- 320.11780 172.3
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.