CID 208185

2-(2-diethylaminoethoxy)thioxanthone hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₁NO₂S

SMILES

CCN(CC)CCOC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H21NO2S/c1-3-20(4-2)11-12-22-14-9-10-18-16(13-14)19(21)15-7-5-6-8-17(15)23-18/h5-10,13H,3-4,11-12H2,1-2H3

InChIKey

FYHBGVGRUFGSPX-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethoxy]thioxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 327.1293 Da
Monoisotopic Mass: 4.7
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]+	328.136576	174.0
[M+Na]+	350.118518	182.8
[M-H]-	326.122024	180.7
[M+NH4]+	345.163123	191.3
[M+K]+	366.092458	178.1
[M+H-H2O]+	310.126560	166.0
[M+HCOO]-	372.127501	193.0
[M+CH3COO]-	386.143151	214.8
[M+Na-2H]-	348.103966	179.4
[M]+	327.12875142	182.3
[M]-	327.12984858	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe