CID 3053127

1-(3-phenyl-3-propionoxypropyl)-2-methyl-3-phenyl-3-propionoxypyrrolidine (+)-tartrate

Structural Information

Molecular Formula
C26H33NO4
SMILES
CCC(=O)OC(CCN1CCC(C1C)(C2=CC=CC=C2)OC(=O)CC)C3=CC=CC=C3
InChI
InChI=1S/C26H33NO4/c1-4-24(28)30-23(21-12-8-6-9-13-21)16-18-27-19-17-26(20(27)3,31-25(29)5-2)22-14-10-7-11-15-22/h6-15,20,23H,4-5,16-19H2,1-3H3
InChIKey
DMZWZULBZKYKRN-UHFFFAOYSA-N
Compound name
[3-(2-methyl-3-phenyl-3-propanoyloxypyrrolidin-1-yl)-1-phenylpropyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.24097 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.24825 205.7
[M+Na]+ 446.23019 215.9
[M+NH4]+ 441.27479 212.5
[M+K]+ 462.20413 209.2
[M-H]- 422.23369 209.0
[M+Na-2H]- 444.21564 212.5
[M]+ 423.24042 208.0
[M]- 423.24152 208.0
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.