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]+ 358.16490 183.6
[M+Na]+ 380.14684 190.7
[M-H]- 356.15034 190.8
[M+NH4]+ 375.19144 196.4
[M+K]+ 396.12078 188.8
[M+H-H2O]+ 340.15488 175.0
[M+HCOO]- 402.15582 206.3
[M+CH3COO]- 416.17147 220.9
[M+Na-2H]- 378.13229 183.1
[M]+ 357.15707 190.5
[M]- 357.15817 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.