CID 11970481

37525-44-3

Structural Information

Molecular Formula
C15H9N3S4
SMILES
C1=CC=C(C=C1)N2C(=S)SC(=N2)SC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H9N3S4/c19-15-18(10-6-2-1-3-7-10)17-14(22-15)21-13-16-11-8-4-5-9-12(11)20-13/h1-9H
InChIKey
GLDUYWAMKOSGDL-UHFFFAOYSA-N
Compound name
5-(1,3-benzothiazol-2-ylsulfanyl)-3-phenyl-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.96793 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.97521 174.8
[M+Na]+ 381.95715 191.4
[M-H]- 357.96065 182.1
[M+NH4]+ 377.00175 190.2
[M+K]+ 397.93109 181.0
[M+H-H2O]+ 341.96519 171.4
[M+HCOO]- 403.96613 179.6
[M+CH3COO]- 417.98178 186.1
[M+Na-2H]- 379.94260 174.9
[M]+ 358.96738 178.0
[M]- 358.96848 178.0
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.