CID 409354

Thioxanthen-9-one, 1-((2-(ethyl(2-hydroxyethyl)amino)ethyl)amino)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CCO
InChI
InChI=1S/C20H24N2O2S/c1-3-22(12-13-23)11-10-21-16-9-8-14(2)20-18(16)19(24)15-6-4-5-7-17(15)25-20/h4-9,21,23H,3,10-13H2,1-2H3
InChIKey
NFFYVCDCWWVPOZ-UHFFFAOYSA-N
Compound name
1-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]-4-methylthioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

356.15585 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16313 182.3
[M+Na]+ 379.14507 195.9
[M+NH4]+ 374.18967 191.0
[M+K]+ 395.11901 185.2
[M-H]- 355.14857 187.2
[M+Na-2H]- 377.13052 188.8
[M]+ 356.15530 186.2
[M]- 356.15640 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe