CID 3069134

84339-10-6

Structural Information

Molecular Formula
C18H18FN3O3S
SMILES
CC1=CSC2=C(C(=O)C3=CC(=C(C=C3N12)N4CCN(CC4)C)F)C(=O)O
InChI
InChI=1S/C18H18FN3O3S/c1-10-9-26-17-15(18(24)25)16(23)11-7-12(19)14(8-13(11)22(10)17)21-5-3-20(2)4-6-21/h7-9H,3-6H2,1-2H3,(H,24,25)
InChIKey
NEYPCNWFNXGBEN-UHFFFAOYSA-N
Compound name
7-fluoro-1-methyl-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

5
Patents

375.1053 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11258 185.8
[M+Na]+ 398.09452 197.1
[M-H]- 374.09802 188.8
[M+NH4]+ 393.13912 198.2
[M+K]+ 414.06846 190.4
[M+H-H2O]+ 358.10256 177.3
[M+HCOO]- 420.10350 194.6
[M+CH3COO]- 434.11915 195.3
[M+Na-2H]- 396.07997 183.8
[M]+ 375.10475 188.3
[M]- 375.10585 188.3
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