CID 129318395

Fluphenazine n,n',s-trioxide dihydrochloride

Structural Information

Molecular Formula
C22H26F3N3O4S
SMILES
C1C[N+](CC[N+]1(CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)C(F)(F)F)[O-])(CCO)[O-]
InChI
InChI=1S/C22H26F3N3O4S/c23-22(24,25)17-6-7-21-19(16-17)26(18-4-1-2-5-20(18)33(21)32)8-3-9-27(30)10-12-28(31,13-11-27)14-15-29/h1-2,4-7,16,29H,3,8-15H2
InChIKey
FCXLAPIHYZCCMG-UHFFFAOYSA-N
Compound name
2-[1,4-dioxido-4-[3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazine-1,4-diium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1596 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.16688 206.6
[M+Na]+ 508.14882 210.6
[M-H]- 484.15232 201.9
[M+NH4]+ 503.19342 213.1
[M+K]+ 524.12276 193.4
[M+H-H2O]+ 468.15686 202.8
[M+HCOO]- 530.15780 205.2
[M+CH3COO]- 544.17345 213.1
[M+Na-2H]- 506.13427 213.7
[M]+ 485.15905 196.7
[M]- 485.16015 196.7
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.