CID 1107564

307953-49-7

Structural Information

Molecular Formula

C₂₃H₂₂N₂O₃

SMILES

CC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H22N2O3/c1-16-5-9-18(10-6-16)14-21(23(27)24-15-20-4-3-13-28-20)25-22(26)19-11-7-17(2)8-12-19/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)/b21-14+

InChIKey

YPOUJWMBWQPLAD-KGENOOAVSA-N

Compound name

N-[(E)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.16306 Da
Monoisotopic Mass: 4.0
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]+	375.170336	193.7
[M+Na]+	397.152278	197.5
[M-H]-	373.155784	203.8
[M+NH4]+	392.196883	204.7
[M+K]+	413.126218	193.8
[M+H-H2O]+	357.160320	184.4
[M+HCOO]-	419.161261	216.3
[M+CH3COO]-	433.176911	221.7
[M+Na-2H]-	395.137726	193.4
[M]+	374.16251142	194.1
[M]-	374.16360858	194.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.