CID 135411097

Chembl380277

Structural Information

Molecular Formula
C16H14FN5O2S
SMILES
C1CC(C1)C2=CN=C(O2)NC(=S)N=NC3=C(NC4=C3C=C(C=C4)F)O
InChI
InChI=1S/C16H14FN5O2S/c17-9-4-5-11-10(6-9)13(14(23)19-11)21-22-16(25)20-15-18-7-12(24-15)8-2-1-3-8/h4-8,19,23H,1-3H2,(H,18,20,25)
InChIKey
RMVSTNJJJAEUPV-UHFFFAOYSA-N
Compound name
1-(5-cyclobutyl-1,3-oxazol-2-yl)-3-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

359.08524 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.09252 176.8
[M+Na]+ 382.07446 183.1
[M-H]- 358.07796 185.1
[M+NH4]+ 377.11906 183.4
[M+K]+ 398.04840 182.5
[M+H-H2O]+ 342.08250 161.8
[M+HCOO]- 404.08344 194.4
[M+CH3COO]- 418.09909 186.6
[M+Na-2H]- 380.05991 177.2
[M]+ 359.08469 187.2
[M]- 359.08579 187.2
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.