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]+ 362.096906 180.5
[M+Na]+ 384.078848 191.0
[M-H]- 360.082354 182.0
[M+NH4]+ 379.123453 192.6
[M+K]+ 400.052788 183.8
[M+H-H2O]+ 344.086890 172.3
[M+HCOO]- 406.087831 188.3
[M+CH3COO]- 420.103481 189.6
[M+Na-2H]- 382.064296 179.5
[M]+ 361.08908142 180.6
[M]- 361.09017858 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

literature stripe

Patent stripe

patents stripe