CID 3051469

Brn 2664912

Structural Information

Molecular Formula

C₂₀H₂₅NO₂

SMILES

CN(CC1=CC=CC=C1)CC(COC2=CC=CC3=C2CCC3)O

InChI

InChI=1S/C20H25NO2/c1-21(13-16-7-3-2-4-8-16)14-18(22)15-23-20-12-6-10-17-9-5-11-19(17)20/h2-4,6-8,10,12,18,22H,5,9,11,13-15H2,1H3

InChIKey

VJVMHTACMVGLOK-UHFFFAOYSA-N

Compound name

1-[benzyl(methyl)amino]-3-(2,3-dihydro-1H-inden-4-yloxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.18854 Da
Monoisotopic Mass: 3.6
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]+	312.195816	176.1
[M+Na]+	334.177758	179.5
[M-H]-	310.181264	182.6
[M+NH4]+	329.222363	192.6
[M+K]+	350.151698	176.0
[M+H-H2O]+	294.185800	167.9
[M+HCOO]-	356.186741	197.0
[M+CH3COO]-	370.202391	209.5
[M+Na-2H]-	332.163206	177.7
[M]+	311.18799142	176.6
[M]-	311.18908858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe