CID 40508

1-(diethylamino)methyl-2-methoxyanthracene hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

CCN(CC)CC1=C(C=CC2=CC3=CC=CC=C3C=C21)OC

InChI

InChI=1S/C20H23NO/c1-4-21(5-2)14-19-18-13-16-9-7-6-8-15(16)12-17(18)10-11-20(19)22-3/h6-13H,4-5,14H2,1-3H3

InChIKey

YIHHIXYFSZFCDU-UHFFFAOYSA-N

Compound name

N-ethyl-N-[(2-methoxyanthracen-1-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.17798 Da
Monoisotopic Mass: 4.7
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]+	294.185256	170.4
[M+Na]+	316.167198	178.6
[M-H]-	292.170704	177.1
[M+NH4]+	311.211803	188.7
[M+K]+	332.141138	174.3
[M+H-H2O]+	276.175240	162.0
[M+HCOO]-	338.176181	193.8
[M+CH3COO]-	352.191831	212.9
[M+Na-2H]-	314.152646	177.3
[M]+	293.17743142	175.9
[M]-	293.17852858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.