CID 53422311

96072-82-1

Structural Information

Molecular Formula

C₂₆H₂₉NO₂

SMILES

CC(CCC1=CC=CC=C1)NC(C)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO2/c1-20(13-14-22-9-5-3-6-10-22)27-21(2)26(28)24-15-17-25(18-16-24)29-19-23-11-7-4-8-12-23/h3-12,15-18,20-21,27H,13-14,19H2,1-2H3

InChIKey

OFRKRBWJTKWLST-UHFFFAOYSA-N

Compound name

2-(4-phenylbutan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 387.21982 Da
Monoisotopic Mass: 5.8
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]+	388.227096	198.3
[M+Na]+	410.209038	199.9
[M-H]-	386.212544	206.2
[M+NH4]+	405.253643	208.0
[M+K]+	426.182978	194.9
[M+H-H2O]+	370.217080	187.6
[M+HCOO]-	432.218021	218.2
[M+CH3COO]-	446.233671	225.4
[M+Na-2H]-	408.194486	198.4
[M]+	387.21927142	198.5
[M]-	387.22036858	198.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe