CID 23081

Ksd 2317

Structural Information

Molecular Formula
C24H35NO3
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OCCN3C4CCCC3CCC4)O
InChI
InChI=1S/C24H35NO3/c26-23(28-18-17-25-21-13-7-14-22(25)16-8-15-21)24(27,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1,3-4,9-10,20-22,27H,2,5-8,11-18H2
InChIKey
PSMFXKHJRJEIBW-UHFFFAOYSA-N
Compound name
2-(9-azabicyclo[3.3.1]nonan-9-yl)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.26898 196.7
[M+Na]+ 408.25092 205.4
[M+NH4]+ 403.29552 204.2
[M+K]+ 424.22486 198.3
[M-H]- 384.25442 200.1
[M+Na-2H]- 406.23637 200.1
[M]+ 385.26115 198.6
[M]- 385.26225 198.6
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.