CID 68751

Teflutixol

Structural Information

Molecular Formula
C23H26F4N2OS
SMILES
C1CN(CCN1CCCC2C3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(F)(F)F)CCO
InChI
InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2
InChIKey
BJWAPFORUPUXRJ-UHFFFAOYSA-N
Compound name
2-[4-[3-[6-fluoro-2-(trifluoromethyl)-9H-thioxanthen-9-yl]propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

92
Patents

454.1702 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.177476 206.7
[M+Na]+ 477.159418 212.6
[M-H]- 453.162924 203.9
[M+NH4]+ 472.204023 214.6
[M+K]+ 493.133358 203.6
[M+H-H2O]+ 437.167460 193.4
[M+HCOO]- 499.168401 206.9
[M+CH3COO]- 513.184051 211.2
[M+Na-2H]- 475.144866 204.6
[M]+ 454.16965142 200.8
[M]- 454.17074858 200.8
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