CID 3040764

52904-46-8

Structural Information

Molecular Formula
C23H29NO
SMILES
COC1(C2CCCC1CN(C2)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29NO/c1-25-23(20-11-6-3-7-12-20)21-13-8-14-22(23)18-24(17-21)16-15-19-9-4-2-5-10-19/h2-7,9-12,21-22H,8,13-18H2,1H3
InChIKey
HKHXXLHBQKIYME-UHFFFAOYSA-N
Compound name
9-methoxy-9-phenyl-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 185.0
[M+Na]+ 358.214118 188.3
[M-H]- 334.217624 190.6
[M+NH4]+ 353.258723 199.8
[M+K]+ 374.188058 182.3
[M+H-H2O]+ 318.222160 173.7
[M+HCOO]- 380.223101 198.7
[M+CH3COO]- 394.238751 193.1
[M+Na-2H]- 356.199566 188.6
[M]+ 335.22435142 180.5
[M]- 335.22544858 180.5
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.