CID 1543093

2-((5-(benzylthio)-1,3,4-thiadiazol-2-yl)thio)-n-(2-isopropylphenyl)acetamide

Structural Information

Molecular Formula
C20H21N3OS3
SMILES
CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3
InChI
InChI=1S/C20H21N3OS3/c1-14(2)16-10-6-7-11-17(16)21-18(24)13-26-20-23-22-19(27-20)25-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKey
AEXDKPGEZYICBJ-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.0847 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.09198 185.8
[M+Na]+ 438.07392 197.2
[M+NH4]+ 433.11852 193.6
[M+K]+ 454.04786 186.3
[M-H]- 414.07742 191.4
[M+Na-2H]- 436.05937 193.3
[M]+ 415.08415 190.4
[M]- 415.08525 190.4
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.