CID 389931

Nsc686584

Structural Information

Molecular Formula

C₁₇H₁₉NO₅

SMILES

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

InChI

InChI=1S/C17H19NO5/c19-13-7-12(8-14(20)10-13)5-6-18-17(23)4-2-11-1-3-15(21)16(22)9-11/h1,3,7-10,19-22H,2,4-6H2,(H,18,23)

InChIKey

OJKLEYZOZVVURX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 317.1263 Da
Monoisotopic Mass: 2.0
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]+	318.133576	172.7
[M+Na]+	340.115518	178.5
[M-H]-	316.119024	174.4
[M+NH4]+	335.160123	184.2
[M+K]+	356.089458	173.8
[M+H-H2O]+	300.123560	165.2
[M+HCOO]-	362.124501	191.1
[M+CH3COO]-	376.140151	201.6
[M+Na-2H]-	338.100966	173.8
[M]+	317.12575142	172.1
[M]-	317.12684858	172.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.