CID 215185

1(2h)-pyridineethanol, 3,6-dihydro-4-benzyl-alpha-(4-methoxyphenyl)-beta-methyl-

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CC(C(C1=CC=C(C=C1)OC)O)N2CCC(=CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-17(22(24)20-8-10-21(25-2)11-9-20)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h3-12,17,22,24H,13-16H2,1-2H3

InChIKey

XQLBAPHRSPLANO-UHFFFAOYSA-N

Compound name

2-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.2042 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]+	338.211476	183.7
[M+Na]+	360.193418	186.5
[M-H]-	336.196924	189.3
[M+NH4]+	355.238023	194.2
[M+K]+	376.167358	181.7
[M+H-H2O]+	320.201460	173.4
[M+HCOO]-	382.202401	199.2
[M+CH3COO]-	396.218051	210.7
[M+Na-2H]-	358.178866	183.7
[M]+	337.20365142	180.8
[M]-	337.20474858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.