CID 500128

Nsc652162

Structural Information

Molecular Formula
C23H34N2O
SMILES
C1CN(CC(C1O)CNC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5
InChI
InChI=1S/C23H34N2O/c26-22-6-7-25(15-17-4-2-1-3-5-17)16-21(22)14-24-23-11-18-8-19(12-23)10-20(9-18)13-23/h1-5,18-22,24,26H,6-16H2
InChIKey
QKFKNMFRHTVDTQ-UHFFFAOYSA-N
Compound name
3-[(1-adamantylamino)methyl]-1-benzylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.26712 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.274396 179.8
[M+Na]+ 377.256338 177.3
[M-H]- 353.259844 176.5
[M+NH4]+ 372.300943 196.3
[M+K]+ 393.230278 171.3
[M+H-H2O]+ 337.264380 168.3
[M+HCOO]- 399.265321 180.4
[M+CH3COO]- 413.280971 183.7
[M+Na-2H]- 375.241786 186.1
[M]+ 354.26657142 173.6
[M]- 354.26766858 173.6
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.