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

3
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

literature stripe

Patent stripe

patents stripe