CID 3046447

Dan-2804

Structural Information

Molecular Formula

C₂₄H₂₇NO₂

SMILES

CC(COC1=CC=CC=C1)NCCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO2/c1-20(19-27-23-15-9-4-10-16-23)25-17-18-26-24(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,20,24-25H,17-19H2,1H3

InChIKey

YIONSTVZRPJMGM-UHFFFAOYSA-N

Compound name

N-(2-benzhydryloxyethyl)-1-phenoxypropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 361.2042 Da
Monoisotopic Mass: 4.9
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]+	362.211476	189.9
[M+Na]+	384.193418	191.5
[M-H]-	360.196924	197.7
[M+NH4]+	379.238023	200.5
[M+K]+	400.167358	186.8
[M+H-H2O]+	344.201460	179.1
[M+HCOO]-	406.202401	211.3
[M+CH3COO]-	420.218051	218.3
[M+Na-2H]-	382.178866	193.0
[M]+	361.20365142	190.3
[M]-	361.20474858	190.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe