CID 3372

Fluphenazine

Structural Information

Molecular Formula
C22H26F3N3OS
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
InChI
InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
InChIKey
PLDUPXSUYLZYBN-UHFFFAOYSA-N
Compound name
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2581
References

34151
Patents

437.17487 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.18215 198.9
[M+Na]+ 460.16409 208.1
[M+NH4]+ 455.20869 204.0
[M+K]+ 476.13803 199.1
[M-H]- 436.16759 197.5
[M+Na-2H]- 458.14954 201.3
[M]+ 437.17432 200.0
[M]- 437.17542 200.0
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