CID 218004

40028-10-2

Structural Information

Molecular Formula
C20H26N2
SMILES
CN1CCN(CC1)C(CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-21-14-16-22(17-15-21)20(19-10-6-3-7-11-19)13-12-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3
InChIKey
KEPIIXSFSQFDIU-UHFFFAOYSA-N
Compound name
1-(1,3-diphenylpropyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 173.8
[M+Na]+ 317.19882 176.5
[M-H]- 293.20232 178.7
[M+NH4]+ 312.24342 185.2
[M+K]+ 333.17276 171.0
[M+H-H2O]+ 277.20686 162.5
[M+HCOO]- 339.20780 189.3
[M+CH3COO]- 353.22345 182.3
[M+Na-2H]- 315.18427 176.1
[M]+ 294.20905 168.5
[M]- 294.21015 168.5
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

patents stripe