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 170.8
[M+Na]+ 337.22502 170.4
[M-H]- 313.22852 169.0
[M+NH4]+ 332.26962 188.3
[M+K]+ 353.19896 165.0
[M+H-H2O]+ 297.23306 161.1
[M+HCOO]- 359.23400 176.0
[M+CH3COO]- 373.24965 176.7
[M+Na-2H]- 335.21047 178.4
[M]+ 314.23525 164.3
[M]- 314.23635 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.