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: 55
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]+	238.086256	150.1
[M+Na]+	260.068198	160.4
[M-H]-	236.071704	154.8
[M+NH4]+	255.112803	168.6
[M+K]+	276.042138	156.2
[M+H-H2O]+	220.076240	142.2
[M+HCOO]-	282.077181	171.9
[M+CH3COO]-	296.092831	163.4
[M+Na-2H]-	258.053646	159.8
[M]+	237.07843142	153.6
[M]-	237.07952858	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe