CID 167673

Mamegakinone

Structural Information

Molecular Formula
C22H14O6
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)C3=CC(=O)C4=C(C3=O)C(=CC(=C4)C)O
InChI
InChI=1S/C22H14O6/c1-9-3-13-15(23)7-11(21(27)19(13)17(25)5-9)12-8-16(24)14-4-10(2)6-18(26)20(14)22(12)28/h3-8,25-26H,1-2H3
InChIKey
FMQQGWMGTKBWHR-UHFFFAOYSA-N
Compound name
8-hydroxy-2-(8-hydroxy-6-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

374.07904 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08632 183.3
[M+Na]+ 397.06826 194.8
[M-H]- 373.07176 190.7
[M+NH4]+ 392.11286 196.6
[M+K]+ 413.04220 189.6
[M+H-H2O]+ 357.07630 175.2
[M+HCOO]- 419.07724 199.5
[M+CH3COO]- 433.09289 220.8
[M+Na-2H]- 395.05371 184.0
[M]+ 374.07849 185.8
[M]- 374.07959 185.8
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