CID 298413

2-(1-phenylcyclohexylaminomethyl)-3-quinuclidinone

Structural Information

Molecular Formula
C20H28N2O
SMILES
C1CCC(CC1)(C2=CC=CC=C2)NCC3C(=O)C4CCN3CC4
InChI
InChI=1S/C20H28N2O/c23-19-16-9-13-22(14-10-16)18(19)15-21-20(11-5-2-6-12-20)17-7-3-1-4-8-17/h1,3-4,7-8,16,18,21H,2,5-6,9-15H2
InChIKey
FOYGEEYVBDHILQ-UHFFFAOYSA-N
Compound name
2-[[(1-phenylcyclohexyl)amino]methyl]-1-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 169.9
[M+Na]+ 335.209368 170.0
[M-H]- 311.212874 169.4
[M+NH4]+ 330.253973 188.0
[M+K]+ 351.183308 164.9
[M+H-H2O]+ 295.217410 159.7
[M+HCOO]- 357.218351 176.8
[M+CH3COO]- 371.234001 176.4
[M+Na-2H]- 333.194816 177.8
[M]+ 312.21960142 164.3
[M]- 312.22069858 164.3
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.