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]+ 297.23253 166.7
[M+Na]+ 319.21447 165.8
[M-H]- 295.21797 163.8
[M+NH4]+ 314.25907 184.9
[M+K]+ 335.18841 160.1
[M+H-H2O]+ 279.22251 153.7
[M+HCOO]- 341.22345 167.5
[M+CH3COO]- 355.23910 171.9
[M+Na-2H]- 317.19992 174.1
[M]+ 296.22470 160.2
[M]- 296.22580 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