CID 3070935

Brn 3425482

Structural Information

Molecular Formula

C₁₈H₂₁NO₄

SMILES

COC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)NC=O

InChI

InChI=1S/C18H21NO4/c1-21-15-7-5-14(6-8-15)16(19-12-20)10-13-4-9-17(22-2)18(11-13)23-3/h4-9,11-12,16H,10H2,1-3H3,(H,19,20)

InChIKey

OOPXKRKVUNJLGQ-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 315.14706 Da
Monoisotopic Mass: 3.0
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]+	316.154336	173.5
[M+Na]+	338.136278	179.8
[M-H]-	314.139784	180.2
[M+NH4]+	333.180883	187.7
[M+K]+	354.110218	177.4
[M+H-H2O]+	298.144320	164.8
[M+HCOO]-	360.145261	197.5
[M+CH3COO]-	374.160911	210.7
[M+Na-2H]-	336.121726	176.5
[M]+	315.14651142	178.8
[M]-	315.14760858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe