CID 2761229

109348-94-9

Structural Information

Molecular Formula
C8H10N4S5
SMILES
CCSC(=NC#N)SCSC1=NC(=NS1)SC
InChI
InChI=1S/C8H10N4S5/c1-3-14-7(10-4-9)15-5-16-8-11-6(13-2)12-17-8/h3,5H2,1-2H3
InChIKey
HKYDZTYZEUNDPT-UHFFFAOYSA-N
Compound name
[ethylsulfanyl-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl]methylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.9509 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.95818 177.6
[M+Na]+ 344.94012 188.0
[M-H]- 320.94362 178.5
[M+NH4]+ 339.98472 189.8
[M+K]+ 360.91406 180.9
[M+H-H2O]+ 304.94816 165.6
[M+HCOO]- 366.94910 171.3
[M+CH3COO]- 380.96475 216.3
[M+Na-2H]- 342.92557 176.0
[M]+ 321.95035 171.4
[M]- 321.95145 171.4
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.