CID 21978

5752-43-2

Structural Information

Molecular Formula
C14H32N2S4
SMILES
CCSCN(CCN(CSCC)CSCC)CSCC
InChI
InChI=1S/C14H32N2S4/c1-5-17-11-15(12-18-6-2)9-10-16(13-19-7-3)14-20-8-4/h5-14H2,1-4H3
InChIKey
LSXGXRPEJWRESX-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(ethylsulfanylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14484 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15212 178.0
[M+Na]+ 379.13406 179.2
[M-H]- 355.13756 176.3
[M+NH4]+ 374.17866 190.6
[M+K]+ 395.10800 171.2
[M+H-H2O]+ 339.14210 168.6
[M+HCOO]- 401.14304 176.8
[M+CH3COO]- 415.15869 224.9
[M+Na-2H]- 377.11951 174.4
[M]+ 356.14429 181.3
[M]- 356.14539 181.3
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.