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 174.2
[M+Na]+ 347.11886 184.4
[M-H]- 323.12236 180.0
[M+NH4]+ 342.16346 188.7
[M+K]+ 363.09280 177.3
[M+H-H2O]+ 307.12690 164.9
[M+HCOO]- 369.12784 186.3
[M+CH3COO]- 383.14349 184.8
[M+Na-2H]- 345.10431 177.7
[M]+ 324.12909 175.6
[M]- 324.13019 175.6
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.