CID 3053114

69552-00-7

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCC(=O)OC1(CCN(C1C)CCC2=CC=C(C=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-3-21(25)26-22(19-7-5-4-6-8-19)14-16-24(17(22)2)15-13-18-9-11-20(23)12-10-18/h4-12,17H,3,13-16,23H2,1-2H3
InChIKey
WBWROMFITYQOGU-UHFFFAOYSA-N
Compound name
[1-[2-(4-aminophenyl)ethyl]-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 187.6
[M+Na]+ 375.204318 192.6
[M-H]- 351.207824 195.1
[M+NH4]+ 370.248923 202.2
[M+K]+ 391.178258 187.7
[M+H-H2O]+ 335.212360 178.3
[M+HCOO]- 397.213301 207.3
[M+CH3COO]- 411.228951 215.7
[M+Na-2H]- 373.189766 186.6
[M]+ 352.21455142 186.5
[M]- 352.21564858 186.5
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.