CID 3053115

69552-01-8

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCC(=O)OC1(CCN(C1C)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO3/c1-3-22(26)27-23(20-12-8-5-9-13-20)15-17-24(18(23)2)16-14-21(25)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3
InChIKey
AFOFEMOYGJIMMY-UHFFFAOYSA-N
Compound name
[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 190.7
[M+Na]+ 388.18832 202.4
[M+NH4]+ 383.23292 198.7
[M+K]+ 404.16226 194.9
[M-H]- 364.19182 194.8
[M+Na-2H]- 386.17377 198.9
[M]+ 365.19855 193.5
[M]- 365.19965 193.5
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.