CID 298413

102338-85-2

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
1
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]+ 313.22743 169.9
[M+Na]+ 335.20937 170.0
[M-H]- 311.21287 169.4
[M+NH4]+ 330.25397 188.0
[M+K]+ 351.18331 164.9
[M+H-H2O]+ 295.21741 159.7
[M+HCOO]- 357.21835 176.8
[M+CH3COO]- 371.23400 176.4
[M+Na-2H]- 333.19482 177.8
[M]+ 312.21960 164.3
[M]- 312.22070 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.