CID 44146528

(9,9'-bianthracene)-10,10'(9h,9'h)-dione, 3,3'-bis(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C36H34O2
SMILES
CC(C)(C)C1=CC2=C(C=C1)C(C3=CC=CC=C3C2=O)C4C5=C(C=C(C=C5)C(C)(C)C)C(=O)C6=CC=CC=C46
InChI
InChI=1S/C36H34O2/c1-35(2,3)21-15-17-25-29(19-21)33(37)27-13-9-7-11-23(27)31(25)32-24-12-8-10-14-28(24)34(38)30-20-22(36(4,5)6)16-18-26(30)32/h7-20,31-32H,1-6H3
InChIKey
DPFKWHSARBVRFA-UHFFFAOYSA-N
Compound name
2-tert-butyl-10-(3-tert-butyl-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

498.2559 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.26318 231.8
[M+Na]+ 521.24512 238.6
[M-H]- 497.24862 240.5
[M+NH4]+ 516.28972 242.1
[M+K]+ 537.21906 230.8
[M+H-H2O]+ 481.25316 219.5
[M+HCOO]- 543.25410 240.2
[M+CH3COO]- 557.26975 238.0
[M+Na-2H]- 519.23057 233.2
[M]+ 498.25535 231.9
[M]- 498.25645 231.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe