CID 21211

Methyl 9-acridinecarboxylate

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

COC(=O)C1=C2C=CC=CC2=NC3=CC=CC=C31

InChI

InChI=1S/C15H11NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3

InChIKey

PGWHWYBRRVQFCI-UHFFFAOYSA-N

Compound name

methyl acridine-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 237.07898 Da
Monoisotopic Mass: 3.4
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]+	238.08626	150.1
[M+Na]+	260.06820	167.2
[M+NH4]+	255.11280	159.8
[M+K]+	276.04214	158.7
[M-H]-	236.07170	153.9
[M+Na-2H]-	258.05365	159.1
[M]+	237.07843	153.9
[M]-	237.07953	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe