CID 1632889

2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-n-(2,4,6-trimethylphenyl)acetamide

Structural Information

Molecular Formula
C20H20ClN3OS3
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C20H20ClN3OS3/c1-12-8-13(2)18(14(3)9-12)22-17(25)11-27-20-24-23-19(28-20)26-10-15-4-6-16(21)7-5-15/h4-9H,10-11H2,1-3H3,(H,22,25)
InChIKey
ZZWOQXZUOZMLMN-UHFFFAOYSA-N
Compound name
2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.04572 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.05300 199.2
[M+Na]+ 472.03494 212.5
[M+NH4]+ 467.07954 207.2
[M+K]+ 488.00888 200.2
[M-H]- 448.03844 205.1
[M+Na-2H]- 470.02039 205.7
[M]+ 449.04517 204.5
[M]- 449.04627 204.5
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.