CID 3070006

2-propanone, 3-(dimethylamino)-1,1-diphenyl-1-(2-butynyloxy)-, hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₃NO₂

SMILES

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

InChI

InChI=1S/C21H23NO2/c1-4-5-16-24-21(20(23)17-22(2)3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,16-17H2,1-3H3

InChIKey

DBVILSKBTXJWLQ-UHFFFAOYSA-N

Compound name

1-but-2-ynoxy-3-(dimethylamino)-1,1-diphenylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 321.17288 Da
Monoisotopic Mass: 3.7
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]+	322.180156	185.6
[M+Na]+	344.162098	192.0
[M-H]-	320.165604	189.8
[M+NH4]+	339.206703	197.5
[M+K]+	360.136038	186.3
[M+H-H2O]+	304.170140	170.9
[M+HCOO]-	366.171081	201.1
[M+CH3COO]-	380.186731	218.0
[M+Na-2H]-	342.147546	187.1
[M]+	321.17233142	181.7
[M]-	321.17342858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.