CID 14285022

1,3,5,8-tetrahydroxy-6-methoxy-2-methylanthraquinone

Structural Information

Molecular Formula
C16H12O7
SMILES
CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O)O
InChI
InChI=1S/C16H12O7/c1-5-7(17)3-6-10(13(5)19)16(22)11-8(18)4-9(23-2)15(21)12(11)14(6)20/h3-4,17-19,21H,1-2H3
InChIKey
WYAGLAMLQQEAEL-UHFFFAOYSA-N
Compound name
1,3,5,8-tetrahydroxy-6-methoxy-2-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0583 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 165.3
[M+Na]+ 339.04752 177.0
[M-H]- 315.05102 167.4
[M+NH4]+ 334.09212 180.3
[M+K]+ 355.02146 173.3
[M+H-H2O]+ 299.05556 159.7
[M+HCOO]- 361.05650 180.7
[M+CH3COO]- 375.07215 204.5
[M+Na-2H]- 337.03297 167.9
[M]+ 316.05775 169.0
[M]- 316.05885 169.0
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.