CID 201431

Urea, 1-ethyl-3-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₅

SMILES

CCNC(=O)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C13H18N2O5/c1-5-14-13(17)15-12(16)8-6-9(18-2)11(20-4)10(7-8)19-3/h6-7H,5H2,1-4H3,(H2,14,15,16,17)

InChIKey

HHNQDEZYSBUKAG-UHFFFAOYSA-N

Compound name

N-(ethylcarbamoyl)-3,4,5-trimethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.12158 Da
Monoisotopic Mass: 1.6
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]+	283.128856	162.7
[M+Na]+	305.110798	169.2
[M-H]-	281.114304	166.7
[M+NH4]+	300.155403	178.3
[M+K]+	321.084738	169.1
[M+H-H2O]+	265.118840	155.4
[M+HCOO]-	327.119781	187.4
[M+CH3COO]-	341.135431	205.5
[M+Na-2H]-	303.096246	165.0
[M]+	282.12103142	167.9
[M]-	282.12212858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe