CID 495482

Nsc656335

Structural Information

Molecular Formula
C24H34N2O3
SMILES
C1CN(CC(C1O)CNC23CC4CC(C2)CC(C4)C3)C(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C24H34N2O3/c27-22-6-7-26(23(28)29-16-17-4-2-1-3-5-17)15-21(22)14-25-24-11-18-8-19(12-24)10-20(9-18)13-24/h1-5,18-22,25,27H,6-16H2
InChIKey
AZJVCAKKPZKIIK-UHFFFAOYSA-N
Compound name
benzyl 3-[(1-adamantylamino)methyl]-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.25696 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26424 188.7
[M+Na]+ 421.24618 185.3
[M-H]- 397.24968 185.0
[M+NH4]+ 416.29078 203.2
[M+K]+ 437.22012 180.8
[M+H-H2O]+ 381.25422 177.5
[M+HCOO]- 443.25516 188.2
[M+CH3COO]- 457.27081 191.7
[M+Na-2H]- 419.23163 194.3
[M]+ 398.25641 184.3
[M]- 398.25751 184.3
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.