CID 3036919

Fluphenazine sulfoxide

Structural Information

Molecular Formula
C22H26F3N3O2S
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)C(F)(F)F)CCO
InChI
InChI=1S/C22H26F3N3O2S/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)31(21)30)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
InChIKey
UFPPOFUTIWYLNR-UHFFFAOYSA-N
Compound name
2-[4-[3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

453.16977 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17705 207.2
[M+Na]+ 476.15899 213.5
[M-H]- 452.16249 204.6
[M+NH4]+ 471.20359 213.7
[M+K]+ 492.13293 205.0
[M+H-H2O]+ 436.16703 194.4
[M+HCOO]- 498.16797 207.8
[M+CH3COO]- 512.18362 211.8
[M+Na-2H]- 474.14444 206.4
[M]+ 453.16922 203.3
[M]- 453.17032 203.3
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.