CID 1990076

578698-76-7

Structural Information

Molecular Formula
C19H14F6N4OS2
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CS3
InChI
InChI=1S/C19H14F6N4OS2/c1-2-5-29-16(14-4-3-6-31-14)27-28-17(29)32-10-15(30)26-13-8-11(18(20,21)22)7-12(9-13)19(23,24)25/h2-4,6-9H,1,5,10H2,(H,26,30)
InChIKey
GMXHVKPWANGSBO-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.05133 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.05861 202.1
[M+Na]+ 515.04055 205.8
[M+NH4]+ 510.08515 202.6
[M+K]+ 531.01449 201.8
[M-H]- 491.04405 196.9
[M+Na-2H]- 513.02600 202.6
[M]+ 492.05078 201.2
[M]- 492.05188 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.