CID 25330

Dtxsid40909381

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CCC(CN(CC)CC)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO2/c1-4-20(17-23(5-2)6-3)25-22(24)21(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16,20-21H,4-6,17H2,1-3H3

InChIKey

MLDAYGZPPRLGLE-UHFFFAOYSA-N

Compound name

1-(diethylamino)butan-2-yl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 0
Patents: 339.21982 Da
Monoisotopic Mass: 5.1
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]+	340.227096	187.5
[M+Na]+	362.209038	189.2
[M-H]-	338.212544	193.9
[M+NH4]+	357.253643	200.4
[M+K]+	378.182978	186.8
[M+H-H2O]+	322.217080	178.0
[M+HCOO]-	384.218021	208.2
[M+CH3COO]-	398.233671	219.2
[M+Na-2H]-	360.194486	187.1
[M]+	339.21927142	190.0
[M]-	339.22036858	190.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.