CID 57015

96072-76-3

Structural Information

Molecular Formula

C₂₆H₂₉NO₂

SMILES

CCN(CC)C(COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO2/c1-3-27(4-2)24(21-14-8-5-9-15-21)20-29-26(28)25(22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24-25H,3-4,20H2,1-2H3

InChIKey

KYTMROFPVQZJBA-UHFFFAOYSA-N

Compound name

[2-(diethylamino)-2-phenylethyl] 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 387.21982 Da
Monoisotopic Mass: 5.7
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	199.0
[M+Na]+	410.209038	199.8
[M-H]-	386.212544	207.9
[M+NH4]+	405.253643	209.0
[M+K]+	426.182978	196.1
[M+H-H2O]+	370.217080	187.9
[M+HCOO]-	432.218021	219.3
[M+CH3COO]-	446.233671	226.9
[M+Na-2H]-	408.194486	198.9
[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.