CID 210966

22019-15-4

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CCN(CC)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO2/c1-3-24(4-2)17-11-10-16-23(18-12-6-5-7-13-18)21(25)19-14-8-9-15-20(19)22(23)26/h5-9,12-15H,3-4,16-17H2,1-2H3

InChIKey

BMFURACVVHYJID-UHFFFAOYSA-N

Compound name

2-[4-(diethylamino)but-2-ynyl]-2-phenylindene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.17288 Da
Monoisotopic Mass: 4.2
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]+	346.180156	191.1
[M+Na]+	368.162098	201.6
[M-H]-	344.165604	197.0
[M+NH4]+	363.206703	207.4
[M+K]+	384.136038	191.6
[M+H-H2O]+	328.170140	177.3
[M+HCOO]-	390.171081	207.9
[M+CH3COO]-	404.186731	221.7
[M+Na-2H]-	366.147546	190.9
[M]+	345.17233142	187.9
[M]-	345.17342858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.