CID 145944474

Chebi:146010

Structural Information

Molecular Formula
C17H14O6
SMILES
CC(=O)CC1=CC2=C(C(=C3C(=C2)C=C(C=C3O)OC)O)C(=O)O1
InChI
InChI=1S/C17H14O6/c1-8(18)3-12-6-10-4-9-5-11(22-2)7-13(19)14(9)16(20)15(10)17(21)23-12/h4-7,19-20H,3H2,1-2H3
InChIKey
JXHZOZYBFPWARN-UHFFFAOYSA-N
Compound name
9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)benzo[g]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 167.5
[M+Na]+ 337.06826 183.1
[M+NH4]+ 332.11286 174.1
[M+K]+ 353.04220 177.6
[M-H]- 313.07176 170.3
[M+Na-2H]- 335.05371 171.7
[M]+ 314.07849 170.5
[M]- 314.07959 170.5
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.