CID 58784

101710-82-1

Structural Information

Molecular Formula
C22H31NO3
SMILES
CN1C2CCCC1CC(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H31NO3/c1-23-18-12-7-13-19(23)15-20(14-18)26-21(24)22(25,17-10-5-6-11-17)16-8-3-2-4-9-16/h2-4,8-9,17-20,25H,5-7,10-15H2,1H3
InChIKey
PNRNRQUPANPINL-UHFFFAOYSA-N
Compound name
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.237676 188.2
[M+Na]+ 380.219618 188.3
[M-H]- 356.223124 192.1
[M+NH4]+ 375.264223 201.0
[M+K]+ 396.193558 184.1
[M+H-H2O]+ 340.227660 179.7
[M+HCOO]- 402.228601 196.6
[M+CH3COO]- 416.244251 211.6
[M+Na-2H]- 378.205066 186.7
[M]+ 357.22985142 180.6
[M]- 357.23094858 180.6
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.