CID 483138

7-(2-amino-4-thiazolyl)-6-fluoro-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C15H12FN3O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)N)F)C(=O)O
InChI
InChI=1S/C15H12FN3O3S/c1-2-19-5-9(14(21)22)13(20)8-3-10(16)7(4-12(8)19)11-6-23-15(17)18-11/h3-6H,2H2,1H3,(H2,17,18)(H,21,22)
InChIKey
AUINATBSZOISNA-UHFFFAOYSA-N
Compound name
7-(2-amino-1,3-thiazol-4-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.05835 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.06563 172.5
[M+Na]+ 356.04757 185.1
[M-H]- 332.05107 176.6
[M+NH4]+ 351.09217 186.6
[M+K]+ 372.02151 178.7
[M+H-H2O]+ 316.05561 164.5
[M+HCOO]- 378.05655 188.5
[M+CH3COO]- 392.07220 208.9
[M+Na-2H]- 354.03302 172.2
[M]+ 333.05780 176.7
[M]- 333.05890 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.