CID 3046637

62469-41-4

Structural Information

Molecular Formula

C₂₃H₃₂N₂O₂

SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-5-25(6-2)18-21(17-24(3)4)27-23(26)22(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,21-22H,5-6,17-18H2,1-4H3

InChIKey

BMUCLEAEQXOVSE-UHFFFAOYSA-N

Compound name

[1-(diethylamino)-3-(dimethylamino)propan-2-yl] 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.24637 Da
Monoisotopic Mass: 4.3
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]+	369.253646	196.1
[M+Na]+	391.235588	196.5
[M-H]-	367.239094	203.5
[M+NH4]+	386.280193	207.9
[M+K]+	407.209528	195.4
[M+H-H2O]+	351.243630	185.8
[M+HCOO]-	413.244571	217.9
[M+CH3COO]-	427.260221	230.5
[M+Na-2H]-	389.221036	194.8
[M]+	368.24582142	199.4
[M]-	368.24691858	199.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.