CID 208967

19057-91-1

Structural Information

Molecular Formula
C19H20N2OS
SMILES
CC1=C2C(=C(C=C1)N3CCN(CC3)C)C(=O)C4=CC=CC=C4S2
InChI
InChI=1S/C19H20N2OS/c1-13-7-8-15(21-11-9-20(2)10-12-21)17-18(22)14-5-3-4-6-16(14)23-19(13)17/h3-8H,9-12H2,1-2H3
InChIKey
AVIAHTQKEGGJDV-UHFFFAOYSA-N
Compound name
4-methyl-1-(4-methylpiperazin-1-yl)thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12964 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13692 173.8
[M+Na]+ 347.11886 191.4
[M+NH4]+ 342.16346 184.0
[M+K]+ 363.09280 179.6
[M-H]- 323.12236 179.9
[M+Na-2H]- 345.10431 182.2
[M]+ 324.12909 178.9
[M]- 324.13019 178.9
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

No patent data available for this compound.