CID 458184

Schembl16226200

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=C(C=C3OC)OC)O
InChI
InChI=1S/C17H14O6/c1-21-8-6-10-13(12(7-8)23-3)15(18)9-4-5-11(22-2)17(20)14(9)16(10)19/h4-7,20H,1-3H3
InChIKey
HPBGDGDUVNXIJA-UHFFFAOYSA-N
Compound name
1-hydroxy-2,5,7-trimethoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

314.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 165.8
[M+Na]+ 337.06826 176.9
[M-H]- 313.07176 171.1
[M+NH4]+ 332.11286 182.6
[M+K]+ 353.04220 174.2
[M+H-H2O]+ 297.07630 158.9
[M+HCOO]- 359.07724 185.5
[M+CH3COO]- 373.09289 208.4
[M+Na-2H]- 335.05371 170.3
[M]+ 314.07849 172.7
[M]- 314.07959 172.8
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

No patent data available for this compound.