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 195.0
[M+Na]+ 408.25092 192.3
[M-H]- 384.25442 197.3
[M+NH4]+ 403.29552 204.1
[M+K]+ 424.22486 187.7
[M+H-H2O]+ 368.25896 184.7
[M+HCOO]- 430.25990 200.3
[M+CH3COO]- 444.27555 217.0
[M+Na-2H]- 406.23637 195.0
[M]+ 385.26115 185.3
[M]- 385.26225 185.3
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.