CID 25418903

76107-53-4

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-22(26)24(19-6-4-3-5-7-19)20-13-16-23(17-14-20)15-12-18-8-10-21(25)11-9-18/h3-11,20,25H,2,12-17H2,1H3
InChIKey
LCMFYINHURKMTB-UHFFFAOYSA-N
Compound name
N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.5
[M+Na]+ 375.20432 200.6
[M+NH4]+ 370.24892 195.8
[M+K]+ 391.17826 192.7
[M-H]- 351.20782 194.4
[M+Na-2H]- 373.18977 196.6
[M]+ 352.21455 191.8
[M]- 352.21565 191.8
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