CID 207034

1-piperazinecarbodithioic acid, 4,4'-ethylenedi-, sodium salt, hydrate (1:2:3)

Structural Information

Molecular Formula
C12H22N4S4
SMILES
C1CN(CCN1CCN2CCN(CC2)C(=S)S)C(=S)S
InChI
InChI=1S/C12H22N4S4/c17-11(18)15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12(19)20/h1-10H2,(H,17,18)(H,19,20)
InChIKey
NBSXUEBKSHFXOL-UHFFFAOYSA-N
Compound name
4-[2-(4-dithiocarboxypiperazin-1-yl)ethyl]piperazine-1-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.07272 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08000 169.3
[M+Na]+ 373.06194 173.3
[M-H]- 349.06544 166.4
[M+NH4]+ 368.10654 177.3
[M+K]+ 389.03588 164.2
[M+H-H2O]+ 333.06998 162.7
[M+HCOO]- 395.07092 158.2
[M+CH3COO]- 409.08657 173.9
[M+Na-2H]- 371.04739 164.4
[M]+ 350.07217 160.7
[M]- 350.07327 160.7
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.