CID 202203

Methixen-sulfoxid [german]

Structural Information

Molecular Formula
C20H23NOS
SMILES
CN1CCCC(C1)CC2C3=CC=CC=C3S(=O)C4=CC=CC=C24
InChI
InChI=1S/C20H23NOS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)23(22)20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKey
MWLXOFVMKVYYLK-UHFFFAOYSA-N
Compound name
9-[(1-methylpiperidin-3-yl)methyl]-9H-thioxanthene 10-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15002 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15730 174.2
[M+Na]+ 348.13924 189.6
[M+NH4]+ 343.18384 184.9
[M+K]+ 364.11318 177.6
[M-H]- 324.14274 180.6
[M+Na-2H]- 346.12469 181.5
[M]+ 325.14947 178.9
[M]- 325.15057 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.