CID 3009821

Piperazine, 1,1'-dithiobis[4-(2-pyridinyl)-

Structural Information

Molecular Formula
C18H24N6S2
SMILES
C1CN(CCN1C2=CC=CC=N2)SSN3CCN(CC3)C4=CC=CC=N4
InChI
InChI=1S/C18H24N6S2/c1-3-7-19-17(5-1)21-9-13-23(14-10-21)25-26-24-15-11-22(12-16-24)18-6-2-4-8-20-18/h1-8H,9-16H2
InChIKey
VWIPZBFABUEVOC-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-4-[(4-pyridin-2-ylpiperazin-1-yl)disulfanyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

388.1504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15768 184.0
[M+Na]+ 411.13962 189.2
[M-H]- 387.14312 186.2
[M+NH4]+ 406.18422 187.5
[M+K]+ 427.11356 180.4
[M+H-H2O]+ 371.14766 172.3
[M+HCOO]- 433.14860 184.2
[M+CH3COO]- 447.16425 189.4
[M+Na-2H]- 409.12507 183.5
[M]+ 388.14985 177.7
[M]- 388.15095 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe