CID 183408

112078-70-3

Structural Information

Molecular Formula
C17H12O6
SMILES
COC1=CC2=C3C(=CC(=O)O2)C4=CC(=C(C=C4OC3=C1)OC)O
InChI
InChI=1S/C17H12O6/c1-20-8-3-14-17-10(6-16(19)23-15(17)4-8)9-5-11(18)13(21-2)7-12(9)22-14/h3-7,18H,1-2H3
InChIKey
ZXZGQGQLKDSDFC-UHFFFAOYSA-N
Compound name
4-hydroxy-5,11-dimethoxy-8,14-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.0634 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.070676 166.1
[M+Na]+ 335.052618 177.6
[M-H]- 311.056124 173.1
[M+NH4]+ 330.097223 181.3
[M+K]+ 351.026558 177.0
[M+H-H2O]+ 295.060660 158.1
[M+HCOO]- 357.061601 183.4
[M+CH3COO]- 371.077251 178.9
[M+Na-2H]- 333.038066 175.6
[M]+ 312.06285142 175.0
[M]- 312.06394858 175.0
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.