CID 201707

Ksd 2283

Structural Information

Molecular Formula
C23H33NO3
SMILES
CN1C2CCCC1CC(C2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H33NO3/c1-24-19-13-8-14-20(24)16-21(15-19)27-22(25)23(26,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2,4-5,9-10,18-21,26H,3,6-8,11-16H2,1H3
InChIKey
YMDUJCJRAIWWAW-UHFFFAOYSA-N
Compound name
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24603 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.25331 191.4
[M+Na]+ 394.23525 190.1
[M-H]- 370.23875 194.3
[M+NH4]+ 389.27985 201.5
[M+K]+ 410.20919 185.8
[M+H-H2O]+ 354.24329 181.6
[M+HCOO]- 416.24423 197.0
[M+CH3COO]- 430.25988 215.3
[M+Na-2H]- 392.22070 191.2
[M]+ 371.24548 181.8
[M]- 371.24658 181.8
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.