CID 383151

Nsc671192

Structural Information

Molecular Formula

C₁₇H₁₉NO₆

SMILES

C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=C(C(=C2)O)O)O)O)O

InChI

InChI=1S/C17H19NO6/c19-12-3-1-10(7-13(12)20)2-4-16(23)18-6-5-11-8-14(21)17(24)15(22)9-11/h1,3,7-9,19-22,24H,2,4-6H2,(H,18,23)

InChIKey

HDQKGDXWDWTJLW-UHFFFAOYSA-N

Compound name

3-(3,4-dihydroxyphenyl)-N-[2-(3,4,5-trihydroxyphenyl)ethyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 333.12125 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]+	334.128526	175.6
[M+Na]+	356.110468	181.5
[M-H]-	332.113974	176.3
[M+NH4]+	351.155073	185.8
[M+K]+	372.084408	177.1
[M+H-H2O]+	316.118510	168.2
[M+HCOO]-	378.119451	192.6
[M+CH3COO]-	392.135101	203.4
[M+Na-2H]-	354.095916	175.6
[M]+	333.12070142	175.0
[M]-	333.12179858	175.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.