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
2
Annotation Hits

0
References

13
Patents

178.03468 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04196 133.6
[M+Na]+ 201.02390 137.8
[M-H]- 177.02740 131.9
[M+NH4]+ 196.06850 151.6
[M+K]+ 216.99784 133.2
[M+H-H2O]+ 161.03194 126.4
[M+HCOO]- 223.03288 146.4
[M+CH3COO]- 237.04853 187.0
[M+Na-2H]- 199.00935 133.2
[M]+ 178.03413 128.3
[M]- 178.03523 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.