CID 32081

2-(3,4,5-trimethoxybenzoyl)-2',6'-acetoxylidide

Structural Information

Molecular Formula
C20H23NO5
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C20H23NO5/c1-12-7-6-8-13(2)19(12)21-18(23)11-15(22)14-9-16(24-3)20(26-5)17(10-14)25-4/h6-10H,11H2,1-5H3,(H,21,23)
InChIKey
YUYKBUXMRJUACH-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15762 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.164896 183.6
[M+Na]+ 380.146838 190.7
[M-H]- 356.150344 190.8
[M+NH4]+ 375.191443 196.4
[M+K]+ 396.120778 188.8
[M+H-H2O]+ 340.154880 175.0
[M+HCOO]- 402.155821 206.3
[M+CH3COO]- 416.171471 220.9
[M+Na-2H]- 378.132286 183.1
[M]+ 357.15707142 190.5
[M]- 357.15816858 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.