CID 3053114

Brn 1439118

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]+ 353.22238 187.6
[M+Na]+ 375.20432 192.6
[M-H]- 351.20782 195.1
[M+NH4]+ 370.24892 202.2
[M+K]+ 391.17826 187.7
[M+H-H2O]+ 335.21236 178.3
[M+HCOO]- 397.21330 207.3
[M+CH3COO]- 411.22895 215.7
[M+Na-2H]- 373.18977 186.6
[M]+ 352.21455 186.5
[M]- 352.21565 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.