CID 204343

N,n'''-(dithiodi-2,1-ethanediyl)bis(n'-methylguanidine) dihydriodide

Structural Information

Molecular Formula
C8H20N6S2
SMILES
CN=C(N)NCCSSCCNC(=NC)N
InChI
InChI=1S/C8H20N6S2/c1-11-7(9)13-3-5-15-16-6-4-14-8(10)12-2/h3-6H2,1-2H3,(H3,9,11,13)(H3,10,12,14)
InChIKey
UFJPLJHOUWZBPT-UHFFFAOYSA-N
Compound name
2-methyl-1-[2-[2-[(N'-methylcarbamimidoyl)amino]ethyldisulfanyl]ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11908 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12636 154.0
[M+Na]+ 287.10830 155.8
[M-H]- 263.11180 154.2
[M+NH4]+ 282.15290 169.4
[M+K]+ 303.08224 152.1
[M+H-H2O]+ 247.11634 144.5
[M+HCOO]- 309.11728 170.3
[M+CH3COO]- 323.13293 212.6
[M+Na-2H]- 285.09375 154.4
[M]+ 264.11853 152.0
[M]- 264.11963 152.0
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.