CID 32082

Acetamide, n-2-pyridyl-2-(3,4,5-trimethoxybenzoyl)-

Structural Information

Molecular Formula
C17H18N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)NC2=CC=CC=N2
InChI
InChI=1S/C17H18N2O5/c1-22-13-8-11(9-14(23-2)17(13)24-3)12(20)10-16(21)19-15-6-4-5-7-18-15/h4-9H,10H2,1-3H3,(H,18,19,21)
InChIKey
KLAJESFRESIXBU-UHFFFAOYSA-N
Compound name
3-oxo-N-pyridin-2-yl-3-(3,4,5-trimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12158 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12886 174.9
[M+Na]+ 353.11080 181.4
[M-H]- 329.11430 180.5
[M+NH4]+ 348.15540 186.8
[M+K]+ 369.08474 179.7
[M+H-H2O]+ 313.11884 165.4
[M+HCOO]- 375.11978 197.3
[M+CH3COO]- 389.13543 212.1
[M+Na-2H]- 351.09625 177.5
[M]+ 330.12103 180.3
[M]- 330.12213 180.3
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.