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]+ 355.27440 179.8
[M+Na]+ 377.25634 177.3
[M-H]- 353.25984 176.5
[M+NH4]+ 372.30094 196.3
[M+K]+ 393.23028 171.3
[M+H-H2O]+ 337.26438 168.3
[M+HCOO]- 399.26532 180.4
[M+CH3COO]- 413.28097 183.7
[M+Na-2H]- 375.24179 186.1
[M]+ 354.26657 173.6
[M]- 354.26767 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.