CID 224749

101975-96-6

Structural Information

Molecular Formula
C20H26N2
SMILES
CC(C1=CC=CC=C1)N2CCN(CC2)C(C)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-17(19-9-5-3-6-10-19)21-13-15-22(16-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChIKey
FQNIOAVLCZLWON-UHFFFAOYSA-N
Compound name
1,4-bis(1-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

294.2096 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 173.5
[M+Na]+ 317.19882 176.0
[M-H]- 293.20232 178.6
[M+NH4]+ 312.24342 184.9
[M+K]+ 333.17276 171.0
[M+H-H2O]+ 277.20686 162.5
[M+HCOO]- 339.20780 188.0
[M+CH3COO]- 353.22345 181.9
[M+Na-2H]- 315.18427 174.8
[M]+ 294.20905 167.7
[M]- 294.21015 167.7
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