CID 17479

2618-50-0

Structural Information

Molecular Formula

C₁₈H₂₁NO₂

SMILES

CN(C)CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO2/c1-19(2)13-14-21-18(20)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3

InChIKey

DUHVHRGNHUTXDR-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 283.15723 Da
Monoisotopic Mass: 3.4
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	168.9
[M+Na]+	306.146448	172.6
[M-H]-	282.149954	176.0
[M+NH4]+	301.191053	184.2
[M+K]+	322.120388	170.6
[M+H-H2O]+	266.154490	160.1
[M+HCOO]-	328.155431	192.0
[M+CH3COO]-	342.171081	206.6
[M+Na-2H]-	304.131896	171.9
[M]+	283.15668142	170.6
[M]-	283.15777858	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe