CID 5033213

743453-27-2

Structural Information

Molecular Formula
C11H6F3N3S2
SMILES
C1=CSC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)SC(=N3)N
InChI
InChI=1S/C11H6F3N3S2/c12-11(13,14)5-4-6(7-2-1-3-18-7)16-9-8(5)19-10(15)17-9/h1-4H,(H2,15,16,17)
InChIKey
UWISPEUQFVJAGP-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.9955 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.00278 159.0
[M+Na]+ 323.98472 168.1
[M+NH4]+ 319.02932 165.6
[M+K]+ 339.95866 162.7
[M-H]- 299.98822 158.2
[M+Na-2H]- 321.97017 163.2
[M]+ 300.99495 160.7
[M]- 300.99605 160.7
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.