CID 2740136

Cyto10h5

Structural Information

Molecular Formula
C15H9F3N2OS2
SMILES
C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC=CS3)C(F)(F)F
InChI
InChI=1S/C15H9F3N2OS2/c16-15(17,18)12-11(9-5-2-1-3-6-9)23-14(19-12)20-13(21)10-7-4-8-22-10/h1-8H,(H,19,20,21)
InChIKey
AHLPEWBLLUQGPA-UHFFFAOYSA-N
Compound name
N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.01083 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.018106 173.8
[M+Na]+ 377.000048 185.1
[M-H]- 353.003554 180.1
[M+NH4]+ 372.044653 189.9
[M+K]+ 392.973988 178.5
[M+H-H2O]+ 337.008090 165.1
[M+HCOO]- 399.009031 186.7
[M+CH3COO]- 413.024681 185.1
[M+Na-2H]- 374.985496 172.4
[M]+ 354.01028142 175.0
[M]- 354.01137858 175.0
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.