CID 3020378

85118-29-2

Structural Information

Molecular Formula

C₂₁H₂₇NO

SMILES

CC1(C2=CC=CC=C2C(C3=CC=CC=C31)(CCCN(C)C)O)C

InChI

InChI=1S/C21H27NO/c1-20(2)16-10-5-7-12-18(16)21(23,14-9-15-22(3)4)19-13-8-6-11-17(19)20/h5-8,10-13,23H,9,14-15H2,1-4H3

InChIKey

MGWVDTJIYUKWKX-UHFFFAOYSA-N

Compound name

9-[3-(dimethylamino)propyl]-10,10-dimethylanthracen-9-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 309.20926 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]+	310.216536	176.0
[M+Na]+	332.198478	183.6
[M-H]-	308.201984	181.1
[M+NH4]+	327.243083	196.9
[M+K]+	348.172418	179.0
[M+H-H2O]+	292.206520	168.5
[M+HCOO]-	354.207461	194.7
[M+CH3COO]-	368.223111	213.1
[M+Na-2H]-	330.183926	182.1
[M]+	309.20871142	177.9
[M]-	309.20980858	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe