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]+ 295.216876 174.0
[M+Na]+ 317.198818 177.7
[M-H]- 293.202324 179.4
[M+NH4]+ 312.243423 185.8
[M+K]+ 333.172758 172.3
[M+H-H2O]+ 277.206860 163.0
[M+HCOO]- 339.207801 189.5
[M+CH3COO]- 353.223451 182.9
[M+Na-2H]- 315.184266 175.6
[M]+ 294.20905142 169.2
[M]- 294.21014858 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.