CID 3049157

Brn 1513905

Structural Information

Molecular Formula

C₂₄H₃₀N₂O₄

SMILES

CC(=O)C1(CCN(CC1)CC(COC2=CC=C(C=C2)NC(=O)C)O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-18(27)24(20-6-4-3-5-7-20)12-14-26(15-13-24)16-22(29)17-30-23-10-8-21(9-11-23)25-19(2)28/h3-11,22,29H,12-17H2,1-2H3,(H,25,28)

InChIKey

GCNWZWJZUFPQTR-UHFFFAOYSA-N

Compound name

N-[4-[3-(4-acetyl-4-phenylpiperidin-1-yl)-2-hydroxypropoxy]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 410.22055 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	411.227826	200.5
[M+Na]+	433.209768	201.6
[M-H]-	409.213274	205.7
[M+NH4]+	428.254373	209.2
[M+K]+	449.183708	198.1
[M+H-H2O]+	393.217810	190.2
[M+HCOO]-	455.218751	214.7
[M+CH3COO]-	469.234401	224.7
[M+Na-2H]-	431.195216	199.4
[M]+	410.22000142	197.5
[M]-	410.22109858	197.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.