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 156.8
[M+Na]+ 323.98472 171.0
[M-H]- 299.98822 159.6
[M+NH4]+ 319.02932 175.3
[M+K]+ 339.95866 164.5
[M+H-H2O]+ 283.99276 149.3
[M+HCOO]- 345.99370 168.3
[M+CH3COO]- 360.00935 169.3
[M+Na-2H]- 321.97017 157.2
[M]+ 300.99495 158.1
[M]- 300.99605 158.1
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.