CID 362102

Nsc625630

Structural Information

Molecular Formula
C20H16O4
SMILES
COC1=C2C=CC3=C(C2=C(C=C1)OC)C(=O)OC3C4=CC=CC=C4
InChI
InChI=1S/C20H16O4/c1-22-15-10-11-16(23-2)17-13(15)8-9-14-18(17)20(21)24-19(14)12-6-4-3-5-7-12/h3-11,19H,1-2H3
InChIKey
VDDXJAQZAMOPLW-UHFFFAOYSA-N
Compound name
6,9-dimethoxy-3-phenyl-3H-benzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10486 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11214 172.5
[M+Na]+ 343.09408 182.7
[M-H]- 319.09758 182.6
[M+NH4]+ 338.13868 189.7
[M+K]+ 359.06802 179.5
[M+H-H2O]+ 303.10212 165.1
[M+HCOO]- 365.10306 193.6
[M+CH3COO]- 379.11871 185.4
[M+Na-2H]- 341.07953 176.8
[M]+ 320.10431 178.0
[M]- 320.10541 178.0
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.