CID 517916

Phenyl acridine-9-carboxylate

Structural Information

Molecular Formula

C₂₀H₁₃NO₂

SMILES

C1=CC=C(C=C1)OC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C20H13NO2/c22-20(23-14-8-2-1-3-9-14)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H

InChIKey

QIYUZWMXMSNPRG-UHFFFAOYSA-N

Compound name

phenyl acridine-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 107
Patents: 299.09464 Da
Monoisotopic Mass: 4.9
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]+	300.10192	168.3
[M+Na]+	322.08386	177.5
[M-H]-	298.08736	175.6
[M+NH4]+	317.12846	183.4
[M+K]+	338.05780	171.6
[M+H-H2O]+	282.09190	158.4
[M+HCOO]-	344.09284	189.4
[M+CH3COO]-	358.10849	180.0
[M+Na-2H]-	320.06931	177.5
[M]+	299.09409	170.5
[M]-	299.09519	170.5

Literature stripe

literature stripe

Patent stripe

patents stripe