CID 3062776

98897-37-1

Structural Information

Molecular Formula
C20H26N2
SMILES
CC(C)N1CCN(C(C1)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-17(2)21-13-14-22(15-18-9-5-3-6-10-18)20(16-21)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3
InChIKey
IHZLAOPHJVMECP-UHFFFAOYSA-N
Compound name
1-benzyl-2-phenyl-4-propan-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 174.0
[M+Na]+ 317.19882 177.7
[M-H]- 293.20232 179.4
[M+NH4]+ 312.24342 185.8
[M+K]+ 333.17276 172.3
[M+H-H2O]+ 277.20686 163.0
[M+HCOO]- 339.20780 189.5
[M+CH3COO]- 353.22345 182.9
[M+Na-2H]- 315.18427 175.6
[M]+ 294.20905 169.2
[M]- 294.21015 169.2
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.