CID 10040428

Copareolatin 6-methylether

Structural Information

Molecular Formula
C16H12O6
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=C(C(=C(C=C3C2=O)O)OC)O)O
InChI
InChI=1S/C16H12O6/c1-6-3-4-7-10(12(6)18)14(20)8-5-9(17)16(22-2)15(21)11(8)13(7)19/h3-5,17-18,21H,1-2H3
InChIKey
IUQAZAAMCAPINP-UHFFFAOYSA-N
Compound name
1,3,5-trihydroxy-2-methoxy-6-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

300.0634 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 164.3
[M+Na]+ 323.05262 178.4
[M+NH4]+ 318.09722 170.9
[M+K]+ 339.02656 173.3
[M-H]- 299.05612 165.2
[M+Na-2H]- 321.03807 166.9
[M]+ 300.06285 166.5
[M]- 300.06395 166.5
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