CID 5371608

3-(3-nitrophenyl)-2'-acrylonaphthone

Structural Information

Molecular Formula

C₁₉H₁₃NO₃

SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H13NO3/c21-19(11-8-14-4-3-7-18(12-14)20(22)23)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H/b11-8+

InChIKey

IXRSRSAIQNFEBQ-DHZHZOJOSA-N

Compound name

(E)-1-naphthalen-2-yl-3-(3-nitrophenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 303.08954 Da
Monoisotopic Mass: 4.8
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]+	304.096816	169.7
[M+Na]+	326.078758	175.5
[M-H]-	302.082264	176.9
[M+NH4]+	321.123363	184.0
[M+K]+	342.052698	166.2
[M+H-H2O]+	286.086800	165.6
[M+HCOO]-	348.087741	192.5
[M+CH3COO]-	362.103391	198.9
[M+Na-2H]-	324.064206	176.3
[M]+	303.08899142	168.0
[M]-	303.09008858	168.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.