CID 1987456

2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-n-(3,4-dichlorophenyl)acetamide

Structural Information

Molecular Formula
C17H12Cl3N3OS3
SMILES
C1=CC(=CC=C1CSC2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C17H12Cl3N3OS3/c18-11-3-1-10(2-4-11)8-25-16-22-23-17(27-16)26-9-15(24)21-12-5-6-13(19)14(20)7-12/h1-7H,8-9H2,(H,21,24)
InChIKey
HZESSCPLKMZRPR-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.9208 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.92808 204.9
[M+Na]+ 497.91002 218.8
[M+NH4]+ 492.95462 212.9
[M+K]+ 513.88396 205.5
[M-H]- 473.91352 209.9
[M+Na-2H]- 495.89547 211.0
[M]+ 474.92025 210.4
[M]- 474.92135 210.4
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.