CID 3034507

17551-76-7

Structural Information

Molecular Formula
C14H28N6S2
SMILES
C1CN(CCN1)CCNC(=S)C(=S)NCCN2CCNCC2
InChI
InChI=1S/C14H28N6S2/c21-13(17-5-11-19-7-1-15-2-8-19)14(22)18-6-12-20-9-3-16-4-10-20/h15-16H,1-12H2,(H,17,21)(H,18,22)
InChIKey
VHQRNZLMFMSUFY-UHFFFAOYSA-N
Compound name
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

344.1817 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18898 173.4
[M+Na]+ 367.17092 172.6
[M-H]- 343.17442 168.6
[M+NH4]+ 362.21552 179.5
[M+K]+ 383.14486 165.1
[M+H-H2O]+ 327.17896 164.7
[M+HCOO]- 389.17990 171.4
[M+CH3COO]- 403.19555 206.6
[M+Na-2H]- 365.15637 171.0
[M]+ 344.18115 161.9
[M]- 344.18225 161.9
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