CID 303925

Nsc194304

Structural Information

Molecular Formula
C8H18N4O6S4
SMILES
C(CCN=C(CSS(=O)(=O)O)N)CN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C8H18N4O6S4/c9-7(5-19-21(13,14)15)11-3-1-2-4-12-8(10)6-20-22(16,17)18/h1-6H2,(H2,9,11)(H2,10,12)(H,13,14,15)(H,16,17,18)
InChIKey
JNQIALWFFREBSE-UHFFFAOYSA-N
Compound name
1,4-bis[(1-amino-2-sulfosulfanylethylidene)amino]butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.01093 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01821 185.1
[M+Na]+ 417.00015 184.5
[M-H]- 393.00365 178.3
[M+NH4]+ 412.04475 191.5
[M+K]+ 432.97409 174.4
[M+H-H2O]+ 377.00819 175.4
[M+HCOO]- 439.00913 182.6
[M+CH3COO]- 453.02478 219.1
[M+Na-2H]- 414.98560 187.9
[M]+ 394.01038 181.0
[M]- 394.01148 181.0
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.