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]+ 336.23218 186.4
[M+Na]+ 358.21412 201.0
[M+NH4]+ 353.25872 197.9
[M+K]+ 374.18806 188.3
[M-H]- 334.21762 193.2
[M+Na-2H]- 356.19957 195.7
[M]+ 335.22435 190.8
[M]- 335.22545 190.8
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.