CID 3069133

84339-08-2

Structural Information

Molecular Formula
C17H16FN3O3S
SMILES
CC1=CSC2=C(C(=O)C3=CC(=C(C=C3N12)N4CCNCC4)F)C(=O)O
InChI
InChI=1S/C17H16FN3O3S/c1-9-8-25-16-14(17(23)24)15(22)10-6-11(18)13(7-12(10)21(9)16)20-4-2-19-3-5-20/h6-8,19H,2-5H2,1H3,(H,23,24)
InChIKey
LEKKRFMWERADOZ-UHFFFAOYSA-N
Compound name
7-fluoro-1-methyl-5-oxo-8-piperazin-1-yl-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

361.08963 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09691 180.5
[M+Na]+ 384.07885 191.0
[M-H]- 360.08235 182.0
[M+NH4]+ 379.12345 192.6
[M+K]+ 400.05279 183.8
[M+H-H2O]+ 344.08689 172.3
[M+HCOO]- 406.08783 188.3
[M+CH3COO]- 420.10348 189.6
[M+Na-2H]- 382.06430 179.5
[M]+ 361.08908 180.6
[M]- 361.09018 180.6
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.