CID 467467

Chembl57280

Structural Information

Molecular Formula
C22H38N2
SMILES
C1CCN(CC1)CCN2CCCCC2C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H38N2/c1-3-7-23(8-4-1)10-11-24-9-5-2-6-21(24)22-15-18-12-19(16-22)14-20(13-18)17-22/h18-21H,1-17H2
InChIKey
XIFDFNPXYSKKEK-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-(2-piperidin-1-ylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.3035 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.31078 178.1
[M+Na]+ 353.29272 173.2
[M-H]- 329.29622 173.3
[M+NH4]+ 348.33732 194.5
[M+K]+ 369.26666 167.6
[M+H-H2O]+ 313.30076 164.5
[M+HCOO]- 375.30170 173.8
[M+CH3COO]- 389.31735 180.6
[M+Na-2H]- 351.27817 181.1
[M]+ 330.30295 167.8
[M]- 330.30405 167.8
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.