CID 5276617

[1,1'-binaphthalene]-5,5',8,8'-tetrone, 6,7-dihydro-4,4'-dihydroxy-7,7'-dimethyl-

Structural Information

Molecular Formula
C22H16O6
SMILES
CC1CC(=O)C2=C(C=CC(=C2C1=O)C3=C4C(=C(C=C3)O)C(=O)C=C(C4=O)C)O
InChI
InChI=1S/C22H16O6/c1-9-7-15(25)19-13(23)5-3-11(17(19)21(9)27)12-4-6-14(24)20-16(26)8-10(2)22(28)18(12)20/h3-7,10,23-24H,8H2,1-2H3
InChIKey
YJYNIQQTZMGISK-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(4-hydroxy-7-methyl-5,8-dioxo-6,7-dihydronaphthalen-1-yl)-2-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10198 183.9
[M+Na]+ 399.08392 194.5
[M-H]- 375.08742 190.9
[M+NH4]+ 394.12852 197.1
[M+K]+ 415.05786 189.4
[M+H-H2O]+ 359.09196 176.0
[M+HCOO]- 421.09290 198.7
[M+CH3COO]- 435.10855 221.3
[M+Na-2H]- 397.06937 183.7
[M]+ 376.09415 185.1
[M]- 376.09525 185.1
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

No patent data available for this compound.