CID 208150

2-(2-dimethylaminoethoxy)thioxanthone hydrochloride

Structural Information

Molecular Formula
C17H17NO2S
SMILES
CN(C)CCOC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H17NO2S/c1-18(2)9-10-20-12-7-8-16-14(11-12)17(19)13-5-3-4-6-15(13)21-16/h3-8,11H,9-10H2,1-2H3
InChIKey
MDRSIQUHZAUVLE-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.098 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10528 164.8
[M+Na]+ 322.08722 174.6
[M-H]- 298.09072 172.0
[M+NH4]+ 317.13182 183.3
[M+K]+ 338.06116 170.3
[M+H-H2O]+ 282.09526 157.3
[M+HCOO]- 344.09620 184.5
[M+CH3COO]- 358.11185 177.6
[M+Na-2H]- 320.07267 171.3
[M]+ 299.09745 172.5
[M]- 299.09855 172.5
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