CID 16077296

Bdbm199185

Structural Information

Molecular Formula

C₂₁H₂₂N₂O

SMILES

COC1=CC=C(C=C1)CNC2=C3CCCCC3=NC4=CC=CC=C42

InChI

InChI=1S/C21H22N2O/c1-24-16-12-10-15(11-13-16)14-22-21-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3,(H,22,23)

InChIKey

UEJXGDKPCPJCAE-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 318.17322 Da
Monoisotopic Mass: 4.8
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]+	319.18050	174.9
[M+Na]+	341.16244	180.7
[M-H]-	317.16594	180.8
[M+NH4]+	336.20704	189.1
[M+K]+	357.13638	174.5
[M+H-H2O]+	301.17048	164.5
[M+HCOO]-	363.17142	193.1
[M+CH3COO]-	377.18707	184.6
[M+Na-2H]-	339.14789	181.6
[M]+	318.17267	173.0
[M]-	318.17377	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe