CID 5004885

4-[(4-methoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid

Structural Information

Molecular Formula

C₂₂H₁₉NO₃

SMILES

COC1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O

InChI

InChI=1S/C22H19NO3/c1-26-16-11-9-14(10-12-16)13-15-5-4-7-18-20(22(24)25)17-6-2-3-8-19(17)23-21(15)18/h2-3,6,8-13H,4-5,7H2,1H3,(H,24,25)

InChIKey

AMSBESPIMWAFGZ-UHFFFAOYSA-N

Compound name

4-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.1365 Da
Monoisotopic Mass: 4.5
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]+	346.143776	181.9
[M+Na]+	368.125718	188.6
[M-H]-	344.129224	187.0
[M+NH4]+	363.170323	194.5
[M+K]+	384.099658	182.2
[M+H-H2O]+	328.133760	172.0
[M+HCOO]-	390.134701	196.8
[M+CH3COO]-	404.150351	191.0
[M+Na-2H]-	366.111166	185.3
[M]+	345.13595142	180.3
[M]-	345.13704858	180.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.