CID 2856734

Thiorubber

Structural Information

Molecular Formula

C₂₃H₂₉NO₃

SMILES

C1CCN(CC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O

InChI

InChI=1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2

InChIKey

DMYOHQBLOZMDLP-UHFFFAOYSA-N

Compound name

1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 30
References: 11682
Patents: 367.21475 Da
Monoisotopic Mass: 3.7
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]+	368.222026	191.0
[M+Na]+	390.203968	191.5
[M-H]-	366.207474	195.6
[M+NH4]+	385.248573	199.6
[M+K]+	406.177908	186.7
[M+H-H2O]+	350.212010	180.2
[M+HCOO]-	412.212951	205.1
[M+CH3COO]-	426.228601	214.1
[M+Na-2H]-	388.189416	190.2
[M]+	367.21420142	187.3
[M]-	367.21529858	187.3

Literature stripe

literature stripe

Patent stripe

patents stripe