CID 23074

Ksd 2363

Structural Information

Molecular Formula
C24H31NO
SMILES
CCN1C2CCCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4C
InChI
InChI=1S/C24H31NO/c1-3-25-20-13-9-14-21(25)17-22(16-20)26-24(19-11-5-4-6-12-19)23-15-8-7-10-18(23)2/h4-8,10-12,15,20-22,24H,3,9,13-14,16-17H2,1-2H3
InChIKey
LMDNAFGKUWIQOI-UHFFFAOYSA-N
Compound name
9-ethyl-3-[(2-methylphenyl)-phenylmethoxy]-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.247846 188.5
[M+Na]+ 372.229788 190.7
[M-H]- 348.233294 193.9
[M+NH4]+ 367.274393 200.8
[M+K]+ 388.203728 184.9
[M+H-H2O]+ 332.237830 177.5
[M+HCOO]- 394.238771 200.6
[M+CH3COO]- 408.254421 195.9
[M+Na-2H]- 370.215236 188.9
[M]+ 349.24002142 183.8
[M]- 349.24111858 183.8
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.