CID 146021099

5',8'-dihydroxy-6,6'-dimethyl-7,3'-binaphthyl-1,4,1',4'-tetraone

Structural Information

Molecular Formula
C22H14O6
SMILES
CC1=CC2=C(C=CC(=C2C=C1C3=CC(=O)C4=C(C3=O)C(=O)C(=CC4=O)C)O)O
InChI
InChI=1S/C22H14O6/c1-9-5-12-13(16(24)4-3-15(12)23)7-11(9)14-8-18(26)19-17(25)6-10(2)21(27)20(19)22(14)28/h3-8,23-24H,1-2H3
InChIKey
VGMTTZPIMJUMJQ-UHFFFAOYSA-N
Compound name
2-(5,8-dihydroxy-3-methylnaphthalen-2-yl)-7-methylnaphthalene-1,4,5,8-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.07904 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08632 183.0
[M+Na]+ 397.06826 197.4
[M-H]- 373.07176 191.7
[M+NH4]+ 392.11286 196.7
[M+K]+ 413.04220 191.9
[M+H-H2O]+ 357.07630 174.5
[M+HCOO]- 419.07724 203.4
[M+CH3COO]- 433.09289 220.0
[M+Na-2H]- 395.05371 186.1
[M]+ 374.07849 189.6
[M]- 374.07959 189.6
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.