CID 44149795

(9,9'-bianthracene)-10,10'(9h,9'h)-dione, 3,3'-diethyl-

Structural Information

Molecular Formula
C32H26O2
SMILES
CCC1=CC2=C(C=C1)C(C3=CC=CC=C3C2=O)C4C5=C(C=C(C=C5)CC)C(=O)C6=CC=CC=C46
InChI
InChI=1S/C32H26O2/c1-3-19-13-15-23-27(17-19)31(33)25-11-7-5-9-21(25)29(23)30-22-10-6-8-12-26(22)32(34)28-18-20(4-2)14-16-24(28)30/h5-18,29-30H,3-4H2,1-2H3
InChIKey
UWWAWAUNJBTJPP-UHFFFAOYSA-N
Compound name
2-ethyl-10-(3-ethyl-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

442.19327 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.20055 212.4
[M+Na]+ 465.18249 220.5
[M-H]- 441.18599 221.4
[M+NH4]+ 460.22709 224.8
[M+K]+ 481.15643 211.5
[M+H-H2O]+ 425.19053 199.6
[M+HCOO]- 487.19147 225.6
[M+CH3COO]- 501.20712 220.2
[M+Na-2H]- 463.16794 213.7
[M]+ 442.19272 212.2
[M]- 442.19382 212.2
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