CID 161562

Fluacizine hydrochloride

Structural Information

Molecular Formula
C20H21F3N2OS
SMILES
CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H21F3N2OS/c1-3-24(4-2)12-11-19(26)25-15-7-5-6-8-17(15)27-18-10-9-14(13-16(18)25)20(21,22)23/h5-10,13H,3-4,11-12H2,1-2H3
InChIKey
VHEOUJNDDFHPGJ-UHFFFAOYSA-N
Compound name
3-(diethylamino)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

1526
Patents

394.13266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13994 187.1
[M+Na]+ 417.12188 195.9
[M+NH4]+ 412.16648 192.9
[M+K]+ 433.09582 187.7
[M-H]- 393.12538 185.7
[M+Na-2H]- 415.10733 190.0
[M]+ 394.13211 188.2
[M]- 394.13321 188.2
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