CID 3056441

3-(thioxanthen-9-ylmethyl) piperidine, s-oxide

Structural Information

Molecular Formula
C19H21NOS
SMILES
C1CC(CNC1)CC2C3=CC=CC=C3S(=O)C4=CC=CC=C24
InChI
InChI=1S/C19H21NOS/c21-22-18-9-3-1-7-15(18)17(12-14-6-5-11-20-13-14)16-8-2-4-10-19(16)22/h1-4,7-10,14,17,20H,5-6,11-13H2
InChIKey
REZOITAHOZFCTA-UHFFFAOYSA-N
Compound name
9-(piperidin-3-ylmethyl)-9H-thioxanthene 10-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14168 168.7
[M+Na]+ 334.12362 174.7
[M-H]- 310.12712 173.0
[M+NH4]+ 329.16822 183.6
[M+K]+ 350.09756 167.4
[M+H-H2O]+ 294.13166 160.4
[M+HCOO]- 356.13260 177.9
[M+CH3COO]- 370.14825 177.8
[M+Na-2H]- 332.10907 171.7
[M]+ 311.13385 164.3
[M]- 311.13495 164.3
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.