CID 628435

10-hydroxy-5,7-dimethoxy-2,3-dimethyl-1,4-anthracenedione

Structural Information

Molecular Formula
C18H16O5
SMILES
CC1=C(C(=O)C2=C(C3=C(C=C(C=C3C=C2C1=O)OC)OC)O)C
InChI
InChI=1S/C18H16O5/c1-8-9(2)17(20)15-12(16(8)19)6-10-5-11(22-3)7-13(23-4)14(10)18(15)21/h5-7,21H,1-4H3
InChIKey
HBJBBWDKPXUWTC-UHFFFAOYSA-N
Compound name
10-hydroxy-5,7-dimethoxy-2,3-dimethylanthracene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

312.09976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.107036 167.4
[M+Na]+ 335.088978 179.2
[M-H]- 311.092484 173.0
[M+NH4]+ 330.133583 184.7
[M+K]+ 351.062918 175.7
[M+H-H2O]+ 295.097020 160.8
[M+HCOO]- 357.097961 186.5
[M+CH3COO]- 371.113611 210.5
[M+Na-2H]- 333.074426 170.6
[M]+ 312.09921142 173.7
[M]- 312.10030858 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe