CID 34446

Brn 0831511

Structural Information

Molecular Formula
C14H26N4S4
SMILES
CCN1CCN(CC1)C(=S)SSC(=S)N2CCN(CC2)CC
InChI
InChI=1S/C14H26N4S4/c1-3-15-5-9-17(10-6-15)13(19)21-22-14(20)18-11-7-16(4-2)8-12-18/h3-12H2,1-2H3
InChIKey
JCGRLLURKDCSIC-UHFFFAOYSA-N
Compound name
(4-ethylpiperazine-1-carbothioyl)sulfanyl 4-ethylpiperazine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.10403 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11131 172.6
[M+Na]+ 401.09325 179.4
[M+NH4]+ 396.13785 179.4
[M+K]+ 417.06719 168.0
[M-H]- 377.09675 174.0
[M+Na-2H]- 399.07870 173.1
[M]+ 378.10348 175.4
[M]- 378.10458 175.4
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