CID 1388749

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

Structural Information

Molecular Formula
C17H14FN3OS3
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)F
InChI
InChI=1S/C17H14FN3OS3/c18-13-7-4-8-14(9-13)19-15(22)11-24-17-21-20-16(25-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,22)
InChIKey
OEGZOGOBQFASDL-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0283 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03558 176.7
[M+Na]+ 414.01752 187.9
[M+NH4]+ 409.06212 184.3
[M+K]+ 429.99146 177.1
[M-H]- 390.02102 181.1
[M+Na-2H]- 412.00297 184.1
[M]+ 391.02775 180.8
[M]- 391.02885 180.8
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.