CID 1811280

109348-92-7

Structural Information

Molecular Formula
C11H9N3S4
SMILES
CSC(=NC#N)SCSC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C11H9N3S4/c1-15-10(13-6-12)16-7-17-11-14-8-4-2-3-5-9(8)18-11/h2-5H,7H2,1H3
InChIKey
OTWXBTPLDVHTLZ-UHFFFAOYSA-N
Compound name
[1,3-benzothiazol-2-ylsulfanylmethylsulfanyl(methylsulfanyl)methylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.96793 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.97521 178.8
[M+Na]+ 333.95715 191.6
[M-H]- 309.96065 182.6
[M+NH4]+ 329.00175 194.6
[M+K]+ 349.93109 184.1
[M+H-H2O]+ 293.96519 167.4
[M+HCOO]- 355.96613 179.7
[M+CH3COO]- 369.98178 187.4
[M+Na-2H]- 331.94260 179.7
[M]+ 310.96738 176.9
[M]- 310.96848 176.9
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.