CID 88097

19520-88-8

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: 63
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]+	284.16451	168.8
[M+Na]+	306.14645	181.6
[M+NH4]+	301.19105	177.0
[M+K]+	322.12039	173.5
[M-H]-	282.14995	173.9
[M+Na-2H]-	304.13190	178.0
[M]+	283.15668	172.1
[M]-	283.15778	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe