CID 380232

102504-46-1

Structural Information

Molecular Formula
C24H29F3N2O2
SMILES
CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O
InChI
InChI=1S/C24H29F3N2O2/c1-3-22(30)29(21-10-5-4-6-11-21)18(2)17-28-14-12-23(31,13-15-28)19-8-7-9-20(16-19)24(25,26)27/h4-11,16,18,31H,3,12-15,17H2,1-2H3
InChIKey
ANLCHBGKKKGPRO-UHFFFAOYSA-N
Compound name
N-[1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.2181 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22538 205.0
[M+Na]+ 457.20732 207.3
[M-H]- 433.21082 207.7
[M+NH4]+ 452.25192 213.7
[M+K]+ 473.18126 202.8
[M+H-H2O]+ 417.21536 192.3
[M+HCOO]- 479.21630 215.3
[M+CH3COO]- 493.23195 231.0
[M+Na-2H]- 455.19277 203.1
[M]+ 434.21755 197.9
[M]- 434.21865 197.9
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

No patent data available for this compound.