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]+ 350.24785 188.5
[M+Na]+ 372.22979 190.7
[M-H]- 348.23329 193.9
[M+NH4]+ 367.27439 200.8
[M+K]+ 388.20373 184.9
[M+H-H2O]+ 332.23783 177.5
[M+HCOO]- 394.23877 200.6
[M+CH3COO]- 408.25442 195.9
[M+Na-2H]- 370.21524 188.9
[M]+ 349.24002 183.8
[M]- 349.24112 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.