CID 16076269

N-(1-adamantylmethyl)-2-(4-benzyl-1-piperidyl)ethanamine

Structural Information

Molecular Formula
C25H38N2
SMILES
C1CN(CCC1CC2=CC=CC=C2)CCNCC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C25H38N2/c1-2-4-20(5-3-1)12-21-6-9-27(10-7-21)11-8-26-19-25-16-22-13-23(17-25)15-24(14-22)18-25/h1-5,21-24,26H,6-19H2
InChIKey
XOBIWPYEANQPNX-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)-2-(4-benzylpiperidin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.3035 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.31078 184.2
[M+Na]+ 389.29272 180.3
[M-H]- 365.29622 181.3
[M+NH4]+ 384.33732 200.5
[M+K]+ 405.26666 173.8
[M+H-H2O]+ 349.30076 171.4
[M+HCOO]- 411.30170 185.4
[M+CH3COO]- 425.31735 187.5
[M+Na-2H]- 387.27817 189.9
[M]+ 366.30295 178.0
[M]- 366.30405 178.0
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.