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 185.0
[M+Na]+ 358.21412 188.3
[M-H]- 334.21762 190.6
[M+NH4]+ 353.25872 199.8
[M+K]+ 374.18806 182.3
[M+H-H2O]+ 318.22216 173.7
[M+HCOO]- 380.22310 198.7
[M+CH3COO]- 394.23875 193.1
[M+Na-2H]- 356.19957 188.6
[M]+ 335.22435 180.5
[M]- 335.22545 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.