CID 2739451

2-[4-(1,2,3-thiadiazol-4-yl)phenyl]thioacetamide

Structural Information

Molecular Formula
C10H9N3S2
SMILES
C1=CC(=CC=C1CC(=S)N)C2=CSN=N2
InChI
InChI=1S/C10H9N3S2/c11-10(14)5-7-1-3-8(4-2-7)9-6-15-13-12-9/h1-4,6H,5H2,(H2,11,14)
InChIKey
FFXNUUZEYJHLNE-UHFFFAOYSA-N
Compound name
2-[4-(thiadiazol-4-yl)phenyl]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.02379 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03107 147.1
[M+Na]+ 258.01301 156.9
[M-H]- 234.01651 151.3
[M+NH4]+ 253.05761 164.5
[M+K]+ 273.98695 151.0
[M+H-H2O]+ 218.02105 140.2
[M+HCOO]- 280.02199 160.1
[M+CH3COO]- 294.03764 159.2
[M+Na-2H]- 255.99846 147.2
[M]+ 235.02324 147.5
[M]- 235.02434 147.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.