CID 467465

Chembl299482

Structural Information

Molecular Formula
C22H31N
SMILES
C1CCN(C(C1)C23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5
InChI
InChI=1S/C22H31N/c1-2-6-17(7-3-1)16-23-9-5-4-8-21(23)22-13-18-10-19(14-22)12-20(11-18)15-22/h1-3,6-7,18-21H,4-5,8-16H2
InChIKey
BTQCMJVQCXEUEE-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-benzylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.24564 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.25292 171.5
[M+Na]+ 332.23486 169.7
[M-H]- 308.23836 169.6
[M+NH4]+ 327.27946 190.5
[M+K]+ 348.20880 163.6
[M+H-H2O]+ 292.24290 159.2
[M+HCOO]- 354.24384 172.8
[M+CH3COO]- 368.25949 176.5
[M+Na-2H]- 330.22031 177.7
[M]+ 309.24509 165.0
[M]- 309.24619 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.