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]+ 424.248246 206.8
[M+Na]+ 446.230188 209.3
[M-H]- 422.233694 213.9
[M+NH4]+ 441.274793 218.2
[M+K]+ 462.204128 205.8
[M+H-H2O]+ 406.238230 197.0
[M+HCOO]- 468.239171 223.2
[M+CH3COO]- 482.254821 226.2
[M+Na-2H]- 444.215636 202.7
[M]+ 423.24042142 209.1
[M]- 423.24151858 209.1
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.