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
8
Annotation Hits

2596
References

42668
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

literature stripe

Patent stripe

patents stripe