CID 26298

Arthrodestal

Structural Information

Molecular Formula

C₂₁H₂₇NO₃

SMILES

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

InChI

InChI=1S/C21H27NO3/c1-5-24-21(18-12-8-6-9-13-18,19-14-10-7-11-15-19)20(23)25-17(2)16-22(3)4/h6-15,17H,5,16H2,1-4H3

InChIKey

YJDHOMGHCDRIRR-UHFFFAOYSA-N

Compound name

1-(dimethylamino)propan-2-yl 2-ethoxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 341.1991 Da
Monoisotopic Mass: 4.0
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]+	342.206376	184.7
[M+Na]+	364.188318	187.4
[M-H]-	340.191824	191.5
[M+NH4]+	359.232923	197.6
[M+K]+	380.162258	186.0
[M+H-H2O]+	324.196360	175.7
[M+HCOO]-	386.197301	205.4
[M+CH3COO]-	400.212951	217.8
[M+Na-2H]-	362.173766	187.1
[M]+	341.19855142	188.5
[M]-	341.19964858	188.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe