CID 370853

N-desmethyl trifluoperazine dihydrochloride

Structural Information

Molecular Formula
C20H22F3N3S
SMILES
C1CN(CCN1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H22F3N3S/c21-20(22,23)15-6-7-19-17(14-15)26(16-4-1-2-5-18(16)27-19)11-3-10-25-12-8-24-9-13-25/h1-2,4-7,14,24H,3,8-13H2
InChIKey
VYYRFBRPGFAPCM-UHFFFAOYSA-N
Compound name
10-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

393.14865 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15593 190.2
[M+Na]+ 416.13787 196.2
[M-H]- 392.14137 187.4
[M+NH4]+ 411.18247 198.9
[M+K]+ 432.11181 187.2
[M+H-H2O]+ 376.14591 177.6
[M+HCOO]- 438.14685 191.3
[M+CH3COO]- 452.16250 195.6
[M+Na-2H]- 414.12332 191.4
[M]+ 393.14810 182.8
[M]- 393.14920 182.8
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