CID 54699020

1-butyl-n-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C21H18FN3O3S
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)O
InChI
InChI=1S/C21H18FN3O3S/c1-2-3-10-25-15-7-5-4-6-13(15)18(26)17(20(25)28)19(27)24-21-23-14-9-8-12(22)11-16(14)29-21/h4-9,11,26H,2-3,10H2,1H3,(H,23,24,27)
InChIKey
TXVFYXIIVSHGBJ-UHFFFAOYSA-N
Compound name
1-butyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.1053 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.11258 194.6
[M+Na]+ 434.09452 205.8
[M-H]- 410.09802 199.3
[M+NH4]+ 429.13912 206.5
[M+K]+ 450.06846 198.2
[M+H-H2O]+ 394.10256 185.6
[M+HCOO]- 456.10350 209.0
[M+CH3COO]- 470.11915 204.3
[M+Na-2H]- 432.07997 195.8
[M]+ 411.10475 200.6
[M]- 411.10585 200.6
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.