CID 54685139

Chembl221429

Structural Information

Molecular Formula
C16H14FN3O3S
SMILES
CCN1C2=C(C(=C(C1=O)C(=O)NCC3=CC=C(C=C3)F)O)N=CS2
InChI
InChI=1S/C16H14FN3O3S/c1-2-20-15(23)11(13(21)12-16(20)24-8-19-12)14(22)18-7-9-3-5-10(17)6-4-9/h3-6,8,21H,2,7H2,1H3,(H,18,22)
InChIKey
ITUWCZMJNMOGDN-UHFFFAOYSA-N
Compound name
4-ethyl-N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.074 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08128 176.2
[M+Na]+ 370.06322 187.6
[M-H]- 346.06672 180.3
[M+NH4]+ 365.10782 189.8
[M+K]+ 386.03716 181.3
[M+H-H2O]+ 330.07126 167.7
[M+HCOO]- 392.07220 192.6
[M+CH3COO]- 406.08785 210.3
[M+Na-2H]- 368.04867 177.2
[M]+ 347.07345 181.1
[M]- 347.07455 181.1
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.