CID 3069130

84338-99-8

Structural Information

Molecular Formula
C16H14FN3O3S
SMILES
C1CN(CCN1)C2=C(C=C3C(=C2)N4C=CSC4=C(C3=O)C(=O)O)F
InChI
InChI=1S/C16H14FN3O3S/c17-10-7-9-11(8-12(10)19-3-1-18-2-4-19)20-5-6-24-15(20)13(14(9)21)16(22)23/h5-8,18H,1-4H2,(H,22,23)
InChIKey
LJWAKCLLEGXTCW-UHFFFAOYSA-N
Compound name
7-fluoro-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

347.074 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08128 175.3
[M+Na]+ 370.06322 185.6
[M-H]- 346.06672 176.7
[M+NH4]+ 365.10782 187.7
[M+K]+ 386.03716 178.5
[M+H-H2O]+ 330.07126 167.1
[M+HCOO]- 392.07220 183.6
[M+CH3COO]- 406.08785 184.6
[M+Na-2H]- 368.04867 175.5
[M]+ 347.07345 174.7
[M]- 347.07455 174.7
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.