CID 46666

64046-81-7

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

CCN(CC)CCOC(=O)C1=C2C=CC=CC2=NC3=CC=CC=C31

InChI

InChI=1S/C20H22N2O2/c1-3-22(4-2)13-14-24-20(23)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12H,3-4,13-14H2,1-2H3

InChIKey

SSWLWLCEGPMYOU-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl acridine-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.16812 Da
Monoisotopic Mass: 4.2
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]+	323.175396	177.4
[M+Na]+	345.157338	184.6
[M-H]-	321.160844	182.4
[M+NH4]+	340.201943	192.6
[M+K]+	361.131278	180.6
[M+H-H2O]+	305.165380	167.9
[M+HCOO]-	367.166321	198.9
[M+CH3COO]-	381.181971	215.8
[M+Na-2H]-	343.142786	184.1
[M]+	322.16757142	183.0
[M]-	322.16866858	183.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.