CID 120721

528-52-9

Structural Information

Molecular Formula

C₂₁H₂₇NO₂

SMILES

CCN(CC)CCOC(=O)C(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO2/c1-3-22(4-2)15-16-24-21(23)20(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14,20H,3-4,15-17H2,1-2H3

InChIKey

ZPBUOZUUFHJROO-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2,3-diphenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 325.2042 Da
Monoisotopic Mass: 4.5
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]+	326.211476	182.9
[M+Na]+	348.193418	185.2
[M-H]-	324.196924	189.3
[M+NH4]+	343.238023	196.4
[M+K]+	364.167358	182.6
[M+H-H2O]+	308.201460	173.4
[M+HCOO]-	370.202401	204.9
[M+CH3COO]-	384.218051	215.4
[M+Na-2H]-	346.178866	184.2
[M]+	325.20365142	185.6
[M]-	325.20474858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe