CID 1597000

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

Structural Information

Molecular Formula
C17H13F2N3OS3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C17H13F2N3OS3/c18-13-7-6-12(8-14(13)19)20-15(23)10-25-17-22-21-16(26-17)24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,23)
InChIKey
NGXZIACKSLPAJG-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0189 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.02618 180.0
[M+Na]+ 432.00812 190.1
[M+NH4]+ 427.05272 186.5
[M+K]+ 447.98206 179.9
[M-H]- 408.01162 182.6
[M+Na-2H]- 429.99357 186.1
[M]+ 409.01835 183.3
[M]- 409.01945 183.3
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.