CID 3039181

9-methoxy-9-(3-methoxyphenyl)-3-(2-phenylethyl)-3-azabicyclo(3.3.1)nonane syn-

Structural Information

Molecular Formula
C24H31NO2
SMILES
COC1=CC=CC(=C1)C2(C3CCCC2CN(C3)CCC4=CC=CC=C4)OC
InChI
InChI=1S/C24H31NO2/c1-26-23-13-7-10-20(16-23)24(27-2)21-11-6-12-22(24)18-25(17-21)15-14-19-8-4-3-5-9-19/h3-5,7-10,13,16,21-22H,6,11-12,14-15,17-18H2,1-2H3
InChIKey
FYYJFPZSKSNMNF-UHFFFAOYSA-N
Compound name
9-methoxy-9-(3-methoxyphenyl)-3-(2-phenylethyl)-3-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23547 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.242746 192.9
[M+Na]+ 388.224688 196.4
[M-H]- 364.228194 198.6
[M+NH4]+ 383.269293 206.6
[M+K]+ 404.198628 191.0
[M+H-H2O]+ 348.232730 181.4
[M+HCOO]- 410.233671 206.2
[M+CH3COO]- 424.249321 200.7
[M+Na-2H]- 386.210136 195.4
[M]+ 365.23492142 190.5
[M]- 365.23601858 190.5
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.