CID 24018644

185066-37-9

Structural Information

Molecular Formula

SMILES

CC(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

InChI

InChI=1S/C31H39NO2/c1-24(2)25-15-17-26(18-16-25)30(33)14-9-21-32-22-19-29(20-23-32)31(34,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-13,15-18,24,29-30,33-34H,9,14,19-23H2,1-2H3

InChIKey

FZSQPQGERLSIOR-UHFFFAOYSA-N

Compound name

4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-(4-propan-2-ylphenyl)butan-1-ol

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 15
Patents: 457.29807 Da
Monoisotopic Mass: 6.0
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]+	458.30535	216.0
[M+Na]+	480.28729	214.7
[M-H]-	456.29079	221.7
[M+NH4]+	475.33189	219.9
[M+K]+	496.26123	207.8
[M+H-H2O]+	440.29533	204.1
[M+HCOO]-	502.29627	224.9
[M+CH3COO]-	516.31192	231.6
[M+Na-2H]-	478.27274	213.4
[M]+	457.29752	209.5
[M]-	457.29862	209.5

Literature stripe

Patent stripe