CID 64322

Piperazine, 1-(1-adamantyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C20H28N2
SMILES
C1CN(CCN1C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H28N2/c1-2-4-19(5-3-1)21-6-8-22(9-7-21)20-13-16-10-17(14-20)12-18(11-16)15-20/h1-5,16-18H,6-15H2
InChIKey
ONTXLMJMSZPLFI-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

296.22525 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.232526 166.7
[M+Na]+ 319.214468 165.8
[M-H]- 295.217974 163.8
[M+NH4]+ 314.259073 184.9
[M+K]+ 335.188408 160.1
[M+H-H2O]+ 279.222510 153.7
[M+HCOO]- 341.223451 167.5
[M+CH3COO]- 355.239101 171.9
[M+Na-2H]- 317.199916 174.1
[M]+ 296.22470142 160.2
[M]- 296.22579858 160.2
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

patents stripe