CID 356123

Nsc611215

Structural Information

Molecular Formula
C20H14O5
SMILES
COC1=CC=C(C=C1)C2=CC3=C(C4=C2C=CC(=C4)OC)C(=O)OC3=O
InChI
InChI=1S/C20H14O5/c1-23-12-5-3-11(4-6-12)15-10-17-18(20(22)25-19(17)21)16-9-13(24-2)7-8-14(15)16/h3-10H,1-2H3
InChIKey
JIMFAGSCHPUYMP-UHFFFAOYSA-N
Compound name
8-methoxy-5-(4-methoxyphenyl)benzo[e][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08414 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09142 174.3
[M+Na]+ 357.07336 185.4
[M-H]- 333.07686 184.8
[M+NH4]+ 352.11796 190.9
[M+K]+ 373.04730 182.4
[M+H-H2O]+ 317.08140 167.0
[M+HCOO]- 379.08234 195.7
[M+CH3COO]- 393.09799 187.4
[M+Na-2H]- 355.05881 178.1
[M]+ 334.08359 180.9
[M]- 334.08469 180.9
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.