CID 331896

99055-56-8

Structural Information

Molecular Formula
C8H8N6O2S4
SMILES
CC(=O)NC1=NN=C(S1)SSC2=NN=C(S2)NC(=O)C
InChI
InChI=1S/C8H8N6O2S4/c1-3(15)9-5-11-13-7(17-5)19-20-8-14-12-6(18-8)10-4(2)16/h1-2H3,(H,9,11,15)(H,10,12,16)
InChIKey
YMWAAPUQRGFEJI-UHFFFAOYSA-N
Compound name
N-[5-[(5-acetamido-1,3,4-thiadiazol-2-yl)disulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.95917 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.96645 168.5
[M+Na]+ 370.94839 179.9
[M-H]- 346.95189 170.3
[M+NH4]+ 365.99299 180.4
[M+K]+ 386.92233 171.6
[M+H-H2O]+ 330.95643 163.2
[M+HCOO]- 392.95737 171.4
[M+CH3COO]- 406.97302 177.6
[M+Na-2H]- 368.93384 168.0
[M]+ 347.95862 170.6
[M]- 347.95972 170.6
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

patents stripe