CID 3069131

84339-00-4

Structural Information

Molecular Formula
C17H16FN3O3S
SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2)N4C=CSC4=C(C3=O)C(=O)O)F
InChI
InChI=1S/C17H16FN3O3S/c1-19-2-4-20(5-3-19)13-9-12-10(8-11(13)18)15(22)14(17(23)24)16-21(12)6-7-25-16/h6-9H,2-5H2,1H3,(H,23,24)
InChIKey
PWWGCHOOEGIWEM-UHFFFAOYSA-N
Compound name
7-fluoro-8-(4-methylpiperazin-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.08963 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09691 181.9
[M+Na]+ 384.07885 194.8
[M+NH4]+ 379.12345 188.4
[M+K]+ 400.05279 188.6
[M-H]- 360.08235 182.8
[M+Na-2H]- 382.06430 185.2
[M]+ 361.08908 184.3
[M]- 361.09018 184.3
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

patents stripe