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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.13658 173.6
[M+Na]+ 350.11852 188.9
[M+NH4]+ 345.16312 183.5
[M+K]+ 366.09246 177.6
[M-H]- 326.12202 178.9
[M+Na-2H]- 348.10397 181.5
[M]+ 327.12875 178.0
[M]- 327.12985 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe