CID 218209

Pseudourea, 2,2'-oxydiethylenedithiodi-, dihydrochloride

Structural Information

Molecular Formula
C6H14N4OS2
SMILES
C(CSC(=N)N)OCCSC(=N)N
InChI
InChI=1S/C6H14N4OS2/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,(H3,7,8)(H3,9,10)
InChIKey
CNWRREGIHBJQDR-UHFFFAOYSA-N
Compound name
2-(2-carbamimidoylsulfanylethoxy)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.0609 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06818 144.4
[M+Na]+ 245.05012 147.5
[M-H]- 221.05362 142.2
[M+NH4]+ 240.09472 160.6
[M+K]+ 261.02406 142.9
[M+H-H2O]+ 205.05816 136.7
[M+HCOO]- 267.05910 156.9
[M+CH3COO]- 281.07475 195.0
[M+Na-2H]- 243.03557 143.5
[M]+ 222.06035 141.1
[M]- 222.06145 141.1
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

patents stripe