CID 214126

27722-07-2

Structural Information

Molecular Formula

C₂₆H₂₉NO₂

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)CCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO2/c1-26(23-14-8-4-9-15-23,24-16-10-5-11-17-24)25(28)29-21-20-27(2)19-18-22-12-6-3-7-13-22/h3-17H,18-21H2,1-2H3

InChIKey

KNSSGBCZLQLMDN-UHFFFAOYSA-N

Compound name

2-[methyl(2-phenylethyl)amino]ethyl 2,2-diphenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 387.21982 Da
Monoisotopic Mass: 5.8
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]+	388.227096	198.2
[M+Na]+	410.209038	200.2
[M-H]-	386.212544	207.4
[M+NH4]+	405.253643	208.6
[M+K]+	426.182978	195.9
[M+H-H2O]+	370.217080	187.4
[M+HCOO]-	432.218021	219.1
[M+CH3COO]-	446.233671	225.6
[M+Na-2H]-	408.194486	201.4
[M]+	387.21927142	199.9
[M]-	387.22036858	199.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.