CID 66501

1,8-diphenoxyanthraquinone

Structural Information

Molecular Formula
C26H16O4
SMILES
C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4OC5=CC=CC=C5
InChI
InChI=1S/C26H16O4/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H
InChIKey
ADJYQFBOMQAMAI-UHFFFAOYSA-N
Compound name
1,8-diphenoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

31
Patents

392.10486 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11214 193.7
[M+Na]+ 415.09408 202.0
[M-H]- 391.09758 204.9
[M+NH4]+ 410.13868 205.7
[M+K]+ 431.06802 195.8
[M+H-H2O]+ 375.10212 182.0
[M+HCOO]- 437.10306 213.4
[M+CH3COO]- 451.11871 203.8
[M+Na-2H]- 413.07953 198.7
[M]+ 392.10431 195.4
[M]- 392.10541 195.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe