CID 3056531

Methixen-sulfon [german]

Structural Information

Molecular Formula
C20H23NO2S
SMILES
CN1CCCC(C1)CC2C3=CC=CC=C3S(=O)(=O)C4=CC=CC=C24
InChI
InChI=1S/C20H23NO2S/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)24(22,23)20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKey
NXZRBZRYNAJDLY-UHFFFAOYSA-N
Compound name
9-[(1-methylpiperidin-3-yl)methyl]-9H-thioxanthene 10,10-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14496 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15224 178.0
[M+Na]+ 364.13418 185.8
[M-H]- 340.13768 184.1
[M+NH4]+ 359.17878 194.5
[M+K]+ 380.10812 179.6
[M+H-H2O]+ 324.14222 169.1
[M+HCOO]- 386.14316 188.6
[M+CH3COO]- 400.15881 187.8
[M+Na-2H]- 362.11963 181.3
[M]+ 341.14441 177.1
[M]- 341.14551 177.1
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.