CID 92043985

104700-21-2

Structural Information

Molecular Formula
C17H12O7
SMILES
COC1=C2C3=C(C(=O)C(C3)O)C(=O)OC2=C4C5C=COC5OC4=C1
InChI
InChI=1S/C17H12O7/c1-21-9-5-10-11(6-2-3-22-17(6)23-10)15-12(9)7-4-8(18)14(19)13(7)16(20)24-15/h2-3,5-6,8,17-18H,4H2,1H3
InChIKey
JUJRETIUKMEFIA-UHFFFAOYSA-N
Compound name
15-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0583 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.065576 165.6
[M+Na]+ 351.047518 177.9
[M-H]- 327.051024 175.6
[M+NH4]+ 346.092123 185.0
[M+K]+ 367.021458 177.4
[M+H-H2O]+ 311.055560 164.8
[M+HCOO]- 373.056501 182.9
[M+CH3COO]- 387.072151 179.6
[M+Na-2H]- 349.032966 168.5
[M]+ 328.05775142 174.6
[M]- 328.05884858 174.6
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.