CID 5452

Thioridazine

Structural Information

Molecular Formula
C21H26N2S2
SMILES
CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC
InChI
InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey
KLBQZWRITKRQQV-UHFFFAOYSA-N
Compound name
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

2597
References

41122
Patents

370.15375 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16103 181.1
[M+Na]+ 393.14297 187.6
[M-H]- 369.14647 184.6
[M+NH4]+ 388.18757 193.7
[M+K]+ 409.11691 179.7
[M+H-H2O]+ 353.15101 172.5
[M+HCOO]- 415.15195 184.5
[M+CH3COO]- 429.16760 189.0
[M+Na-2H]- 391.12842 181.6
[M]+ 370.15320 180.5
[M]- 370.15430 180.5
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.