CID 2723687

32873-56-6

Structural Information

Molecular Formula
C4H5N3OS2
SMILES
CC(=O)NC1=NNC(=S)S1
InChI
InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)
InChIKey
DWSMAMSVZRCQMP-UHFFFAOYSA-N
Compound name
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

85
Patents

174.98741 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.99469 131.5
[M+Na]+ 197.97663 141.5
[M-H]- 173.98013 131.9
[M+NH4]+ 193.02123 150.8
[M+K]+ 213.95057 137.1
[M+H-H2O]+ 157.98467 125.7
[M+HCOO]- 219.98561 143.7
[M+CH3COO]- 234.00126 174.5
[M+Na-2H]- 195.96208 132.0
[M]+ 174.98686 131.5
[M]- 174.98796 131.5
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

patents stripe