CID 24845467

102762-28-7

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC(CN2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-23(2,3)20-13-11-19(12-14-20)22(25)26-21(17-24-15-7-8-16-24)18-9-5-4-6-10-18/h4-6,9-14,21H,7-8,15-17H2,1-3H3

InChIKey

DNPRMJLQPBTGGP-UHFFFAOYSA-N

Compound name

(1-phenyl-2-pyrrolidin-1-ylethyl) 4-tert-butylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.21982 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.227096	188.7
[M+Na]+	374.209038	191.4
[M-H]-	350.212544	195.9
[M+NH4]+	369.253643	201.3
[M+K]+	390.182978	187.4
[M+H-H2O]+	334.217080	179.4
[M+HCOO]-	396.218021	205.0
[M+CH3COO]-	410.233671	213.0
[M+Na-2H]-	372.194486	187.5
[M]+	351.21927142	187.3
[M]-	351.22036858	187.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.