CID 91187

24449-58-9

Structural Information

Molecular Formula

C₁₇H₁₅NO₃

SMILES

CC(=O)NC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C17H15NO3/c1-12(19)18-14-8-10-17(21)15(11-14)16(20)9-7-13-5-3-2-4-6-13/h2-11,21H,1H3,(H,18,19)

InChIKey

PQOXQUOIPRIKBV-UHFFFAOYSA-N

Compound name

N-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 281.1052 Da
Monoisotopic Mass: 3.1
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]+	282.112476	164.7
[M+Na]+	304.094418	170.8
[M-H]-	280.097924	170.1
[M+NH4]+	299.139023	179.2
[M+K]+	320.068358	166.3
[M+H-H2O]+	264.102460	157.0
[M+HCOO]-	326.103401	186.8
[M+CH3COO]-	340.119051	200.0
[M+Na-2H]-	302.079866	167.2
[M]+	281.10465142	163.8
[M]-	281.10574858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe