CID 1990439

578718-77-1

Structural Information

Molecular Formula
C18H13ClF3N3OS3
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H13ClF3N3OS3/c19-12-7-5-11(6-8-12)9-27-16-24-25-17(29-16)28-10-15(26)23-14-4-2-1-3-13(14)18(20,21)22/h1-8H,9-10H2,(H,23,26)
InChIKey
IEMWVFGGWOQNBR-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.98615 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.99343 193.0
[M+Na]+ 497.97537 201.7
[M+NH4]+ 493.01997 198.2
[M+K]+ 513.94931 192.2
[M-H]- 473.97887 193.4
[M+Na-2H]- 495.96082 197.9
[M]+ 474.98560 195.5
[M]- 474.98670 195.5
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.