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]+ 358.23768 188.2
[M+Na]+ 380.21962 188.3
[M-H]- 356.22312 192.1
[M+NH4]+ 375.26422 201.0
[M+K]+ 396.19356 184.1
[M+H-H2O]+ 340.22766 179.7
[M+HCOO]- 402.22860 196.6
[M+CH3COO]- 416.24425 211.6
[M+Na-2H]- 378.20507 186.7
[M]+ 357.22985 180.6
[M]- 357.23095 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.