CID 3055187

72050-85-2

Structural Information

Molecular Formula
C23H29NO3
SMILES
CCC(=O)OC1(CCN(C1C)CCC(C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO3/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/h4-13,18,21,25H,3,14-17H2,1-2H3
InChIKey
IQXUBYWQPYGRRL-UHFFFAOYSA-N
Compound name
[1-(3-hydroxy-3-phenylpropyl)-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.9
[M+Na]+ 390.203968 195.5
[M-H]- 366.207474 198.1
[M+NH4]+ 385.248573 205.2
[M+K]+ 406.177908 191.1
[M+H-H2O]+ 350.212010 182.8
[M+HCOO]- 412.212951 208.5
[M+CH3COO]- 426.228601 213.5
[M+Na-2H]- 388.189416 189.9
[M]+ 367.21420142 191.4
[M]- 367.21529858 191.4
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.