CID 24494

Thioridazine 5-sulfoxide

Structural Information

Molecular Formula
C21H26N2OS2
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)SC
InChI
InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26(24)21-11-10-17(25-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey
XLDFFVBQCMLXIE-UHFFFAOYSA-N
Compound name
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

386.14865 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15593 185.6
[M+Na]+ 409.13787 192.7
[M-H]- 385.14137 189.3
[M+NH4]+ 404.18247 197.5
[M+K]+ 425.11181 184.9
[M+H-H2O]+ 369.14591 177.0
[M+HCOO]- 431.14685 189.1
[M+CH3COO]- 445.16250 193.4
[M+Na-2H]- 407.12332 185.6
[M]+ 386.14810 186.0
[M]- 386.14920 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.