CID 218097

1-propanol, 3-((1-(3-(2-(trifluoromethyl)-10h-phenothiazin-10-yl)propyl)-4-piperidinyl)oxy)-,ethanedioate (1:1) (salt)

Structural Information

Molecular Formula
C24H29F3N2O2S
SMILES
C1CN(CCC1OCCCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H29F3N2O2S/c25-24(26,27)18-7-8-23-21(17-18)29(20-5-1-2-6-22(20)32-23)12-3-11-28-13-9-19(10-14-28)31-16-4-15-30/h1-2,5-8,17,19,30H,3-4,9-16H2
InChIKey
UFAITZIUPISPLQ-UHFFFAOYSA-N
Compound name
3-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]oxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

466.1902 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.19748 206.7
[M+Na]+ 489.17942 215.3
[M+NH4]+ 484.22402 211.7
[M+K]+ 505.15336 206.1
[M-H]- 465.18292 205.5
[M+Na-2H]- 487.16487 208.7
[M]+ 466.18965 207.8
[M]- 466.19075 207.8
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