CID 218108

40255-98-9

Structural Information

Molecular Formula
C24H29F3N2O2S
SMILES
CC1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)OCCO
InChI
InChI=1S/C24H29F3N2O2S/c1-23(31-16-15-30)9-13-28(14-10-23)11-4-12-29-19-5-2-3-6-21(19)32-22-8-7-18(17-20(22)29)24(25,26)27/h2-3,5-8,17,30H,4,9-16H2,1H3
InChIKey
RMPNSOSMGMNRHH-UHFFFAOYSA-N
Compound name
2-[4-methyl-1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

466.1902 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.19748 210.9
[M+Na]+ 489.17942 216.1
[M-H]- 465.18292 209.0
[M+NH4]+ 484.22402 219.9
[M+K]+ 505.15336 208.5
[M+H-H2O]+ 449.18746 198.2
[M+HCOO]- 511.18840 212.0
[M+CH3COO]- 525.20405 230.7
[M+Na-2H]- 487.16487 211.2
[M]+ 466.18965 207.7
[M]- 466.19075 207.7
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