CID 633024

Maritinone

Structural Information

Molecular Formula
C22H14O6
SMILES
CC1=CC(=O)C2=C(C=CC(=C2C1=O)C3=C4C(=C(C=C3)O)C(=O)C=C(C4=O)C)O
InChI
InChI=1S/C22H14O6/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/h3-8,23-24H,1-2H3
InChIKey
XCRMWTKECYDCOD-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(4-hydroxy-7-methyl-5,8-dioxonaphthalen-1-yl)-2-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

18
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