CID 4404944

18800-99-2

Structural Information

Molecular Formula

C₂₂H₂₄O₂

SMILES

CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(C)C

InChI

InChI=1S/C22H24O2/c1-21(2,3)13-7-9-15-17(11-13)19(23)16-10-8-14(22(4,5)6)12-18(16)20(15)24/h7-12H,1-6H3

InChIKey

KJSNKHXDFLXHPS-UHFFFAOYSA-N

Compound name

2,6-ditert-butylanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 320.17764 Da
Monoisotopic Mass: 6.9
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]+	321.18492	177.7
[M+Na]+	343.16686	187.0
[M-H]-	319.17036	183.5
[M+NH4]+	338.21146	195.1
[M+K]+	359.14080	182.2
[M+H-H2O]+	303.17490	171.4
[M+HCOO]-	365.17584	193.4
[M+CH3COO]-	379.19149	213.8
[M+Na-2H]-	341.15231	182.7
[M]+	320.17709	180.4
[M]-	320.17819	180.4

Literature stripe

literature stripe

Patent stripe

patents stripe