CID 145944476

Chebi:146012

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=CC2=CC3=C(C(=C2C(=C1)O)O)C(=O)OC(=C3)CC(=O)OC
InChI
InChI=1S/C17H14O7/c1-22-10-4-8-3-9-5-11(7-13(19)23-2)24-17(21)15(9)16(20)14(8)12(18)6-10/h3-6,18,20H,7H2,1-2H3
InChIKey
MPGOVJDYMMGUQB-UHFFFAOYSA-N
Compound name
methyl 2-(9,10-dihydroxy-7-methoxy-1-oxobenzo[g]isochromen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.07394 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 169.4
[M+Na]+ 353.06316 180.9
[M-H]- 329.06666 174.6
[M+NH4]+ 348.10776 183.4
[M+K]+ 369.03710 179.3
[M+H-H2O]+ 313.07120 162.1
[M+HCOO]- 375.07214 188.7
[M+CH3COO]- 389.08779 207.2
[M+Na-2H]- 351.04861 175.5
[M]+ 330.07339 178.4
[M]- 330.07449 178.4
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.