CID 3063701

3-bicarbamimide thione, 1,1'-dithio-

Structural Information

Molecular Formula
C4H4N6O2S4
SMILES
C1(=S)NC(=O)N(N1)SSN2C(=O)NC(=S)N2
InChI
InChI=1S/C4H4N6O2S4/c11-3-5-1(13)7-9(3)15-16-10-4(12)6-2(14)8-10/h(H2,5,7,11,13)(H2,6,8,12,14)
InChIKey
OAJIMNXJZLCVNG-UHFFFAOYSA-N
Compound name
2-[(5-oxo-3-sulfanylidene-1,2,4-triazolidin-1-yl)disulfanyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.92786 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.93514 153.6
[M+Na]+ 318.91708 169.5
[M-H]- 294.92058 149.5
[M+NH4]+ 313.96168 163.9
[M+K]+ 334.89102 156.8
[M+H-H2O]+ 278.92512 151.3
[M+HCOO]- 340.92606 151.2
[M+CH3COO]- 354.94171 162.5
[M+Na-2H]- 316.90253 149.8
[M]+ 295.92731 150.8
[M]- 295.92841 150.8
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.