CID 218089

40255-57-0

Structural Information

Molecular Formula
C23H27F3N2O2S
SMILES
C1CN(CCC1OCCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C23H27F3N2O2S/c24-23(25,26)17-6-7-22-20(16-17)28(19-4-1-2-5-21(19)31-22)11-3-10-27-12-8-18(9-13-27)30-15-14-29/h1-2,4-7,16,18,29H,3,8-15H2
InChIKey
XHNPXDMSCKEWJZ-UHFFFAOYSA-N
Compound name
2-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

452.17453 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18181 205.8
[M+Na]+ 475.16375 210.6
[M-H]- 451.16725 204.0
[M+NH4]+ 470.20835 213.4
[M+K]+ 491.13769 202.7
[M+H-H2O]+ 435.17179 193.2
[M+HCOO]- 497.17273 207.4
[M+CH3COO]- 511.18838 210.5
[M+Na-2H]- 473.14920 205.4
[M]+ 452.17398 202.0
[M]- 452.17508 202.0
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