CID 2761227

109348-97-2

Structural Information

Molecular Formula
C9H10N4S5
SMILES
CSC(=NC#N)SCSC1=NC(=NS1)SCC=C
InChI
InChI=1S/C9H10N4S5/c1-3-4-15-7-12-9(18-13-7)17-6-16-8(14-2)11-5-10/h3H,1,4,6H2,2H3
InChIKey
IMMLUQGZCUQXFU-UHFFFAOYSA-N
Compound name
[methylsulfanyl-[(3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl]methylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.9509 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.95818 182.1
[M+Na]+ 356.94012 192.3
[M-H]- 332.94362 182.8
[M+NH4]+ 351.98472 193.8
[M+K]+ 372.91406 184.5
[M+H-H2O]+ 316.94816 169.9
[M+HCOO]- 378.94910 175.6
[M+CH3COO]- 392.96475 217.8
[M+Na-2H]- 354.92557 180.1
[M]+ 333.95035 175.6
[M]- 333.95145 175.6
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

No patent data available for this compound.