CID 486164

Diospyrin dimethylether

Structural Information

Molecular Formula
C23H16O6
SMILES
CC1=CC2=C(C(=C1)OC)C(=O)C=C(C2=O)C3=C(C4=C(C=C3C)C(=O)C=CC4=O)O
InChI
InChI=1S/C23H16O6/c1-10-6-13-20(18(7-10)29-3)17(26)9-14(22(13)27)19-11(2)8-12-15(24)4-5-16(25)21(12)23(19)28/h4-9,28H,1-3H3
InChIKey
GPRRJHNMLIGGLB-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

388.0947 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10198 187.3
[M+Na]+ 411.08392 198.8
[M-H]- 387.08742 195.8
[M+NH4]+ 406.12852 200.7
[M+K]+ 427.05786 194.1
[M+H-H2O]+ 371.09196 178.6
[M+HCOO]- 433.09290 204.7
[M+CH3COO]- 447.10855 225.8
[M+Na-2H]- 409.06937 187.9
[M]+ 388.09415 191.8
[M]- 388.09525 191.8
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

No patent data available for this compound.