CID 211929

Acetamide, n-benzyl-n-2-pyridyl-2-(3,4,5-trimethoxyphenyl)-, monohydrobromide

Structural Information

Molecular Formula

C₂₃H₂₄N₂O₄

SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C23H24N2O4/c1-27-19-13-18(14-20(28-2)23(19)29-3)15-22(26)25(21-11-7-8-12-24-21)16-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3

InChIKey

POAXINXUJNSCOK-UHFFFAOYSA-N

Compound name

N-benzyl-N-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 392.1736 Da
Monoisotopic Mass: 3.5
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]+	393.180876	195.4
[M+Na]+	415.162818	200.6
[M-H]-	391.166324	204.7
[M+NH4]+	410.207423	204.8
[M+K]+	431.136758	197.8
[M+H-H2O]+	375.170860	183.6
[M+HCOO]-	437.171801	217.9
[M+CH3COO]-	451.187451	226.7
[M+Na-2H]-	413.148266	197.6
[M]+	392.17305142	201.0
[M]-	392.17414858	201.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.