CID 483139

7-[2-(dimethylamino)thiazol-4-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H16FN3O3S
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)C3=CSC(=N3)N(C)C)F)C(=O)O
InChI
InChI=1S/C17H16FN3O3S/c1-4-21-7-11(16(23)24)15(22)10-5-12(18)9(6-14(10)21)13-8-25-17(19-13)20(2)3/h5-8H,4H2,1-3H3,(H,23,24)
InChIKey
TWJZPUVUYSWCRV-UHFFFAOYSA-N
Compound name
7-[2-(dimethylamino)-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

361.08963 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09691 180.8
[M+Na]+ 384.07885 192.5
[M-H]- 360.08235 186.5
[M+NH4]+ 379.12345 194.6
[M+K]+ 400.05279 187.4
[M+H-H2O]+ 344.08689 172.2
[M+HCOO]- 406.08783 197.2
[M+CH3COO]- 420.10348 218.4
[M+Na-2H]- 382.06430 179.9
[M]+ 361.08908 187.8
[M]- 361.09018 187.8
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.