CID 3051151

N-ethyl-n-(4-hydroxybutyl)phenethylamine 2-phenylpropionate

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCN(CCCCOC(=O)C(C)C1=CC=CC=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C23H31NO2/c1-3-24(18-16-21-12-6-4-7-13-21)17-10-11-19-26-23(25)20(2)22-14-8-5-9-15-22/h4-9,12-15,20H,3,10-11,16-19H2,1-2H3
InChIKey
CCDKGBMSHMDUQT-UHFFFAOYSA-N
Compound name
4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 190.9
[M+Na]+ 376.22469 202.3
[M+NH4]+ 371.26929 198.1
[M+K]+ 392.19863 193.9
[M-H]- 352.22819 195.6
[M+Na-2H]- 374.21014 198.5
[M]+ 353.23492 193.8
[M]- 353.23602 193.8
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.