CID 3009831

1-[3-(trifluoromethyl)phenyl]-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]disulfanyl]piperazine

Structural Information

Molecular Formula
C22H24F6N4S2
SMILES
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)SSN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H24F6N4S2/c23-21(24,25)17-3-1-5-19(15-17)29-7-11-31(12-8-29)33-34-32-13-9-30(10-14-32)20-6-2-4-18(16-20)22(26,27)28/h1-6,15-16H,7-14H2
InChIKey
YDYYIYUMYZMRCA-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]disulfanyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

522.13464 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.14192 213.3
[M+Na]+ 545.12386 218.4
[M-H]- 521.12736 210.2
[M+NH4]+ 540.16846 214.1
[M+K]+ 561.09780 207.9
[M+H-H2O]+ 505.13190 197.0
[M+HCOO]- 567.13284 205.3
[M+CH3COO]- 581.14849 215.3
[M+Na-2H]- 543.10931 208.4
[M]+ 522.13409 201.4
[M]- 522.13519 201.4
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.