CID 23048

Ksd 2121

Structural Information

Molecular Formula
C23H29NO
SMILES
CCN1C2CCCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29NO/c1-2-24-20-14-9-15-21(24)17-22(16-20)25-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3
InChIKey
LVJWCDBYEDZHHJ-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-9-ethyl-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 183.5
[M+Na]+ 358.21412 185.1
[M-H]- 334.21762 188.7
[M+NH4]+ 353.25872 196.0
[M+K]+ 374.18806 179.5
[M+H-H2O]+ 318.22216 172.5
[M+HCOO]- 380.22310 196.0
[M+CH3COO]- 394.23875 191.0
[M+Na-2H]- 356.19957 185.2
[M]+ 335.22435 178.0
[M]- 335.22545 178.0
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.