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]+ 326.157296 174.2
[M+Na]+ 348.139238 180.9
[M-H]- 324.142744 180.0
[M+NH4]+ 343.183843 189.4
[M+K]+ 364.113178 174.3
[M+H-H2O]+ 308.147280 165.3
[M+HCOO]- 370.148221 184.4
[M+CH3COO]- 384.163871 183.7
[M+Na-2H]- 346.124686 176.1
[M]+ 325.14947142 172.1
[M]- 325.15056858 172.1
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.