CID 3025234

2-(1-phenylcyclohexylaminomethyl)-3-quinuclidinol

Structural Information

Molecular Formula
C20H30N2O
SMILES
C1CCC(CC1)(C2=CC=CC=C2)NCC3C(C4CCN3CC4)O
InChI
InChI=1S/C20H30N2O/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/h1,3-4,7-8,16,18-19,21,23H,2,5-6,9-15H2
InChIKey
KVEQBCXXIXEMFL-UHFFFAOYSA-N
Compound name
2-[[(1-phenylcyclohexyl)amino]methyl]-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 175.1
[M+Na]+ 337.22502 185.0
[M+NH4]+ 332.26962 187.2
[M+K]+ 353.19896 174.1
[M-H]- 313.22852 177.7
[M+Na-2H]- 335.21047 176.7
[M]+ 314.23525 177.3
[M]- 314.23635 177.3
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.