CID 54711803

Chembl218270

Structural Information

Molecular Formula
C20H14FN3O3S
SMILES
C1=CC=C(C=C1)N2C3=C(C(=C(C2=O)C(=O)NCC4=CC=C(C=C4)F)O)N=CS3
InChI
InChI=1S/C20H14FN3O3S/c21-13-8-6-12(7-9-13)10-22-18(26)15-17(25)16-20(28-11-23-16)24(19(15)27)14-4-2-1-3-5-14/h1-9,11,25H,10H2,(H,22,26)
InChIKey
DFFNMSSFMKSXMB-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-4-phenyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.074 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.08128 189.1
[M+Na]+ 418.06322 200.1
[M-H]- 394.06672 196.2
[M+NH4]+ 413.10782 200.1
[M+K]+ 434.03716 192.5
[M+H-H2O]+ 378.07126 179.3
[M+HCOO]- 440.07220 205.5
[M+CH3COO]- 454.08785 199.3
[M+Na-2H]- 416.04867 190.6
[M]+ 395.07345 192.8
[M]- 395.07455 192.8
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

No patent data available for this compound.