CID 169490

7-hydroxyfluphenazine

Structural Information

Molecular Formula
C22H26F3N3O2S
SMILES
C1CN(CCN1CCCN2C3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)C(F)(F)F)CCO
InChI
InChI=1S/C22H26F3N3O2S/c23-22(24,25)16-2-5-20-19(14-16)28(18-4-3-17(30)15-21(18)31-20)7-1-6-26-8-10-27(11-9-26)12-13-29/h2-5,14-15,29-30H,1,6-13H2
InChIKey
XVCSDQAFEIGVBC-UHFFFAOYSA-N
Compound name
10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-8-(trifluoromethyl)phenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

453.16977 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17705 206.4
[M+Na]+ 476.15899 212.1
[M-H]- 452.16249 202.5
[M+NH4]+ 471.20359 212.3
[M+K]+ 492.13293 203.4
[M+H-H2O]+ 436.16703 194.1
[M+HCOO]- 498.16797 205.5
[M+CH3COO]- 512.18362 210.5
[M+Na-2H]- 474.14444 205.6
[M]+ 453.16922 201.5
[M]- 453.17032 201.5
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

No patent data available for this compound.