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 176.5
[M+Na]+ 401.09325 179.9
[M-H]- 377.09675 173.4
[M+NH4]+ 396.13785 183.7
[M+K]+ 417.06719 170.5
[M+H-H2O]+ 361.10129 169.7
[M+HCOO]- 423.10223 164.9
[M+CH3COO]- 437.11788 180.5
[M+Na-2H]- 399.07870 171.0
[M]+ 378.10348 168.3
[M]- 378.10458 168.3
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

patents stripe