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

10
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

literature stripe

Patent stripe

patents stripe