CID 3009829

1-phenyl-4-[(4-phenylpiperazin-1-yl)disulfanyl]piperazine

Structural Information

Molecular Formula
C20H26N4S2
SMILES
C1CN(CCN1C2=CC=CC=C2)SSN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H26N4S2/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-26-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKey
PNYLCULHRHYRBQ-UHFFFAOYSA-N
Compound name
1-phenyl-4-[(4-phenylpiperazin-1-yl)disulfanyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.15988 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16716 184.8
[M+Na]+ 409.14910 188.8
[M-H]- 385.15260 189.3
[M+NH4]+ 404.19370 190.9
[M+K]+ 425.12304 180.4
[M+H-H2O]+ 369.15714 173.6
[M+HCOO]- 431.15808 186.8
[M+CH3COO]- 445.17373 190.8
[M+Na-2H]- 407.13455 183.5
[M]+ 386.15933 178.3
[M]- 386.16043 178.3
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.