CID 218093

2-trifluoromethyl-10-(3-(4-(1,2-dimethyl-2-hydroxyethoxy)piperidino)propyl)phenothiazine

Structural Information

Molecular Formula
C25H31F3N2O2S
SMILES
CC(C(C)OC1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)O
InChI
InChI=1S/C25H31F3N2O2S/c1-17(31)18(2)32-20-10-14-29(15-11-20)12-5-13-30-21-6-3-4-7-23(21)33-24-9-8-19(16-22(24)30)25(26,27)28/h3-4,6-9,16-18,20,31H,5,10-15H2,1-2H3
InChIKey
DYENOPPOORXARE-UHFFFAOYSA-N
Compound name
3-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]oxybutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

480.20584 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21312 213.2
[M+Na]+ 503.19506 216.2
[M-H]- 479.19856 211.0
[M+NH4]+ 498.23966 219.4
[M+K]+ 519.16900 209.2
[M+H-H2O]+ 463.20310 200.8
[M+HCOO]- 525.20404 211.9
[M+CH3COO]- 539.21969 235.8
[M+Na-2H]- 501.18051 210.1
[M]+ 480.20529 208.9
[M]- 480.20639 208.9
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

patents stripe