CID 200007

1,4-diphenethylpiperazine dihydrochloride

Structural Information

Molecular Formula
C20H26N2
SMILES
C1CN(CCN1CCC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-3-7-19(8-4-1)11-13-21-15-17-22(18-16-21)14-12-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKey
NFYAOGOHUGRGIX-UHFFFAOYSA-N
Compound name
1,4-bis(2-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

294.2096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 173.7
[M+Na]+ 317.19882 176.7
[M-H]- 293.20232 178.5
[M+NH4]+ 312.24342 185.2
[M+K]+ 333.17276 170.7
[M+H-H2O]+ 277.20686 162.2
[M+HCOO]- 339.20780 190.2
[M+CH3COO]- 353.22345 182.3
[M+Na-2H]- 315.18427 177.1
[M]+ 294.20905 168.9
[M]- 294.21015 168.9
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

No patent data available for this compound.