CID 88097

Ethanol, 2-[bis(phenylmethyl)amino]-, acetate (ester)

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

CC(=O)OCCN(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C18H21NO2/c1-16(20)21-13-12-19(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3

InChIKey

DLWLNSLEQLBPMD-UHFFFAOYSA-N

Compound name

2-(dibenzylamino)ethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 283.15723 Da
Monoisotopic Mass: 3.1
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]+	284.164506	168.7
[M+Na]+	306.146448	172.7
[M-H]-	282.149954	175.7
[M+NH4]+	301.191053	184.1
[M+K]+	322.120388	170.2
[M+H-H2O]+	266.154490	159.7
[M+HCOO]-	328.155431	192.8
[M+CH3COO]-	342.171081	205.7
[M+Na-2H]-	304.131896	172.9
[M]+	283.15668142	171.0
[M]-	283.15777858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe