CID 70669

1096-48-6

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

C1CCC(CC1)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H19NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h4-6,9-13,21H,1-3,7-8H2

InChIKey

BWQIGAJDKXZJTG-UHFFFAOYSA-N

Compound name

1-(cyclohexylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 419
Patents: 305.14157 Da
Monoisotopic Mass: 5.1
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]+	306.14885	168.7
[M+Na]+	328.13079	174.4
[M-H]-	304.13429	176.0
[M+NH4]+	323.17539	184.8
[M+K]+	344.10473	168.5
[M+H-H2O]+	288.13883	159.8
[M+HCOO]-	350.13977	186.3
[M+CH3COO]-	364.15542	178.9
[M+Na-2H]-	326.11624	173.3
[M]+	305.14102	163.6
[M]-	305.14212	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe