CID 81371

2,2'-ethylenebisisothiouronium dibromide

Structural Information

Molecular Formula
C4H10N4S2
SMILES
C(CSC(=N)N)SC(=N)N
InChI
InChI=1S/C4H10N4S2/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,5,6)(H3,7,8)
InChIKey
SWXOUTZSPTXSOB-UHFFFAOYSA-N
Compound name
2-carbamimidoylsulfanylethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

178.03468 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.041956 133.6
[M+Na]+ 201.023898 137.8
[M-H]- 177.027404 131.9
[M+NH4]+ 196.068503 151.6
[M+K]+ 216.997838 133.2
[M+H-H2O]+ 161.031940 126.4
[M+HCOO]- 223.032881 146.4
[M+CH3COO]- 237.048531 187.0
[M+Na-2H]- 199.009346 133.2
[M]+ 178.03413142 128.3
[M]- 178.03522858 128.3
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.