CID 4404944

2,6-di-tert-butylanthracene-9,10-dione

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

68
Patents

320.17764 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18492 177.9
[M+Na]+ 343.16686 192.6
[M+NH4]+ 338.21146 186.5
[M+K]+ 359.14080 184.9
[M-H]- 319.17036 180.7
[M+Na-2H]- 341.15231 183.3
[M]+ 320.17709 181.2
[M]- 320.17819 181.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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