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 202.6
[M+Na]+ 476.15899 211.1
[M+NH4]+ 471.20359 206.8
[M+K]+ 492.13293 203.1
[M-H]- 452.16249 200.4
[M+Na-2H]- 474.14444 203.8
[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

literature stripe

Patent stripe

No patent data available for this compound.