CID 54711799

Chembl222163

Structural Information

Molecular Formula
C14H10FN3O3S
SMILES
C1=CC(=CC=C1CNC(=O)C2=C(C3=C(NC2=O)SC=N3)O)F
InChI
InChI=1S/C14H10FN3O3S/c15-8-3-1-7(2-4-8)5-16-12(20)9-11(19)10-14(18-13(9)21)22-6-17-10/h1-4,6H,5H2,(H,16,20)(H2,18,19,21)
InChIKey
JRMROMLETGVPKA-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-4H-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.0427 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04998 166.5
[M+Na]+ 342.03192 177.6
[M-H]- 318.03542 169.3
[M+NH4]+ 337.07652 180.3
[M+K]+ 358.00586 170.8
[M+H-H2O]+ 302.03996 158.6
[M+HCOO]- 364.04090 182.2
[M+CH3COO]- 378.05655 177.5
[M+Na-2H]- 340.01737 168.9
[M]+ 319.04215 168.6
[M]- 319.04325 168.6
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.