CID 1369336

348147-92-2

Structural Information

Molecular Formula
C19H11F4N3OS2
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N)F
InChI
InChI=1S/C19H11F4N3OS2/c20-13-4-1-2-5-14(13)25-17(27)10-29-18-11(9-24)12(19(21,22)23)8-15(26-18)16-6-3-7-28-16/h1-8H,10H2,(H,25,27)
InChIKey
IBOSBZHLMPPZOS-UHFFFAOYSA-N
Compound name
2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

437.02795 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.03523 201.1
[M+Na]+ 460.01717 212.3
[M-H]- 436.02067 203.3
[M+NH4]+ 455.06177 210.3
[M+K]+ 475.99111 203.7
[M+H-H2O]+ 420.02521 183.6
[M+HCOO]- 482.02615 206.1
[M+CH3COO]- 496.04180 232.6
[M+Na-2H]- 458.00262 197.4
[M]+ 437.02740 195.0
[M]- 437.02850 195.0
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.