CID 21149891

2,3-diphenyl-1-methyl-3-pyrrolidinol propionate

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCC(=O)OC1(CCN(C1C2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C20H23NO2/c1-3-18(22)23-20(17-12-8-5-9-13-17)14-15-21(2)19(20)16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3
InChIKey
FFEVEWPSMCPLDX-UHFFFAOYSA-N
Compound name
(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.3
[M+Na]+ 332.16210 181.3
[M-H]- 308.16560 183.4
[M+NH4]+ 327.20670 191.9
[M+K]+ 348.13604 177.0
[M+H-H2O]+ 292.17014 166.3
[M+HCOO]- 354.17108 195.3
[M+CH3COO]- 368.18673 204.2
[M+Na-2H]- 330.14755 176.2
[M]+ 309.17233 174.7
[M]- 309.17343 174.7
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.