CID 383147

Nsc671188

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

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

InChI

InChI=1S/C16H17NO3/c18-14-7-6-13(10-15(14)19)8-9-17-16(20)11-12-4-2-1-3-5-12/h1-7,10,18-19H,8-9,11H2,(H,17,20)

InChIKey

GGGICHWZMLXHLJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 271.12085 Da
Monoisotopic Mass: 2.2
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]+	272.128126	162.2
[M+Na]+	294.110068	167.9
[M-H]-	270.113574	166.2
[M+NH4]+	289.154673	176.6
[M+K]+	310.084008	163.4
[M+H-H2O]+	254.118110	154.6
[M+HCOO]-	316.119051	183.7
[M+CH3COO]-	330.134701	195.9
[M+Na-2H]-	292.095516	166.0
[M]+	271.12030142	161.2
[M]-	271.12139858	161.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.