CID 1097424

2-(dibenzylamino)-4'-hydroxy-3'-methoxyacetophenone hydrochloride

Structural Information

Molecular Formula

C₂₃H₂₃NO₃

SMILES

COC1=C(C=CC(=C1)C(=O)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H23NO3/c1-27-23-14-20(12-13-21(23)25)22(26)17-24(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,25H,15-17H2,1H3

InChIKey

QXVWXZGTMHKLSF-UHFFFAOYSA-N

Compound name

2-(dibenzylamino)-1-(4-hydroxy-3-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.1678 Da
Monoisotopic Mass: 4.3
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]+	362.175076	188.0
[M+Na]+	384.157018	192.0
[M-H]-	360.160524	196.9
[M+NH4]+	379.201623	199.1
[M+K]+	400.130958	187.9
[M+H-H2O]+	344.165060	177.6
[M+HCOO]-	406.166001	210.2
[M+CH3COO]-	420.181651	219.1
[M+Na-2H]-	382.142466	190.2
[M]+	361.16725142	189.6
[M]-	361.16834858	189.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.