CID 3009834

1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)piperazin-1-yl]disulfanyl]piperazine

Structural Information

Molecular Formula
C20H24Cl2N4S2
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)SSN3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H24Cl2N4S2/c21-17-1-5-19(6-2-17)23-9-13-25(14-10-23)27-28-26-15-11-24(12-16-26)20-7-3-18(22)4-8-20/h1-8H,9-16H2
InChIKey
UNMGTRNVGHWOTM-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)piperazin-1-yl]disulfanyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.08194 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.08922 194.7
[M+Na]+ 477.07116 200.4
[M-H]- 453.07466 199.1
[M+NH4]+ 472.11576 199.9
[M+K]+ 493.04510 191.3
[M+H-H2O]+ 437.07920 184.2
[M+HCOO]- 499.08014 187.1
[M+CH3COO]- 513.09579 200.0
[M+Na-2H]- 475.05661 191.0
[M]+ 454.08139 191.9
[M]- 454.08249 191.9
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

No patent data available for this compound.