CID 134828216

Acridine-10(9h)-carboxylic acid, 2-(diethylamino)ethyl ester, ethanedioate (1:1)

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

CCN(CC)CCOC(=O)N1C2=CC=CC=C2CC3=CC=CC=C31

InChI

InChI=1S/C20H24N2O2/c1-3-21(4-2)13-14-24-20(23)22-18-11-7-5-9-16(18)15-17-10-6-8-12-19(17)22/h5-12H,3-4,13-15H2,1-2H3

InChIKey

KVGSGNWLFHEART-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 9H-acridine-10-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.18378 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]+	325.191056	178.8
[M+Na]+	347.172998	183.9
[M-H]-	323.176504	182.9
[M+NH4]+	342.217603	193.7
[M+K]+	363.146938	180.4
[M+H-H2O]+	307.181040	169.3
[M+HCOO]-	369.181981	197.4
[M+CH3COO]-	383.197631	215.7
[M+Na-2H]-	345.158446	183.5
[M]+	324.18323142	181.5
[M]-	324.18432858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.