CID 58212

Butyrophenone, 4'-(dimethylamino)-4-(4-(alpha,alpha,alpha-trifluoro-p-tolyl)-4-hydroxypiperidino)-

Structural Information

Molecular Formula
C24H29F3N2O2
SMILES
CN(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C24H29F3N2O2/c1-28(2)21-11-5-18(6-12-21)22(30)4-3-15-29-16-13-23(31,14-17-29)19-7-9-20(10-8-19)24(25,26)27/h5-12,31H,3-4,13-17H2,1-2H3
InChIKey
RAUDSMKXFFPBCA-UHFFFAOYSA-N
Compound name
1-[4-(dimethylamino)phenyl]-4-[4-hydroxy-4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.2181 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22538 204.6
[M+Na]+ 457.20732 212.5
[M+NH4]+ 452.25192 209.6
[M+K]+ 473.18126 204.8
[M-H]- 433.21082 204.6
[M+Na-2H]- 455.19277 210.2
[M]+ 434.21755 205.5
[M]- 434.21865 205.5
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

No patent data available for this compound.