CID 2427094

2,4-dichlorobenzyl 1,2,3,4-tetrahydro-9-acridinecarboxylate

Structural Information

Molecular Formula

C₂₁H₁₇Cl₂NO₂

SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO2/c22-14-10-9-13(17(23)11-14)12-26-21(25)20-15-5-1-3-7-18(15)24-19-8-4-2-6-16(19)20/h1,3,5,7,9-11H,2,4,6,8,12H2

InChIKey

FSVQITHSHJSNCC-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 385.06363 Da
Monoisotopic Mass: 6.0
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]+	386.070906	186.7
[M+Na]+	408.052848	195.5
[M-H]-	384.056354	192.2
[M+NH4]+	403.097453	200.1
[M+K]+	424.026788	187.7
[M+H-H2O]+	368.060890	177.9
[M+HCOO]-	430.061831	193.7
[M+CH3COO]-	444.077481	196.0
[M+Na-2H]-	406.038296	189.7
[M]+	385.06308142	189.9
[M]-	385.06417858	189.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.