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]+ 366.24275 192.9
[M+Na]+ 388.22469 196.4
[M-H]- 364.22819 198.6
[M+NH4]+ 383.26929 206.6
[M+K]+ 404.19863 191.0
[M+H-H2O]+ 348.23273 181.4
[M+HCOO]- 410.23367 206.2
[M+CH3COO]- 424.24932 200.7
[M+Na-2H]- 386.21014 195.4
[M]+ 365.23492 190.5
[M]- 365.23602 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.