CID 11139026

10-(1-propynyl)-9(10h)-acridinone

Structural Information

Molecular Formula

C₁₆H₁₁NO

SMILES

CC#CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31

InChI

InChI=1S/C16H11NO/c1-2-11-17-14-9-5-3-7-12(14)16(18)13-8-4-6-10-15(13)17/h3-10H,1H3

InChIKey

LRAICOJVYQWOQX-UHFFFAOYSA-N

Compound name

10-prop-1-ynylacridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.08406 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]+	234.091336	156.1
[M+Na]+	256.073278	170.3
[M-H]-	232.076784	158.5
[M+NH4]+	251.117883	172.9
[M+K]+	272.047218	160.6
[M+H-H2O]+	216.081320	142.7
[M+HCOO]-	278.082261	172.5
[M+CH3COO]-	292.097911	167.4
[M+Na-2H]-	254.058726	163.4
[M]+	233.08351142	152.9
[M]-	233.08460858	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.