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
8
Annotation Hits

2576
References

34939
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 203.1
[M+Na]+ 460.16409 208.7
[M-H]- 436.16759 200.2
[M+NH4]+ 455.20869 210.1
[M+K]+ 476.13803 200.0
[M+H-H2O]+ 420.17213 190.2
[M+HCOO]- 482.17307 203.5
[M+CH3COO]- 496.18872 207.7
[M+Na-2H]- 458.14954 202.8
[M]+ 437.17432 198.1
[M]- 437.17542 198.1
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.