CID 3069132

84339-01-5

Structural Information

Molecular Formula
C19H18FN3O3S
SMILES
C=CCN1CCN(CC1)C2=C(C=C3C(=C2)N4C=CSC4=C(C3=O)C(=O)O)F
InChI
InChI=1S/C19H18FN3O3S/c1-2-3-21-4-6-22(7-5-21)15-11-14-12(10-13(15)20)17(24)16(19(25)26)18-23(14)8-9-27-18/h2,8-11H,1,3-7H2,(H,25,26)
InChIKey
SUBVLGCDFUMPDA-UHFFFAOYSA-N
Compound name
7-fluoro-5-oxo-8-(4-prop-2-enylpiperazin-1-yl)-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

387.1053 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11258 188.9
[M+Na]+ 410.09452 199.1
[M-H]- 386.09802 191.3
[M+NH4]+ 405.13912 200.4
[M+K]+ 426.06846 191.7
[M+H-H2O]+ 370.10256 179.9
[M+HCOO]- 432.10350 197.6
[M+CH3COO]- 446.11915 197.7
[M+Na-2H]- 408.07997 187.0
[M]+ 387.10475 190.5
[M]- 387.10585 190.5
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