CID 364382

Nsc630441

Structural Information

Molecular Formula
C21H18O4
SMILES
CC1(C2=C(C3=C(C=CC(=C3C=C2)OC)OC)C(=O)O1)C4=CC=CC=C4
InChI
InChI=1S/C21H18O4/c1-21(13-7-5-4-6-8-13)15-10-9-14-16(23-2)11-12-17(24-3)18(14)19(15)20(22)25-21/h4-12H,1-3H3
InChIKey
LIIPVCMKVCMEOY-UHFFFAOYSA-N
Compound name
6,9-dimethoxy-3-methyl-3-phenylbenzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.127776 177.3
[M+Na]+ 357.109718 188.2
[M-H]- 333.113224 187.6
[M+NH4]+ 352.154323 196.0
[M+K]+ 373.083658 184.8
[M+H-H2O]+ 317.117760 169.8
[M+HCOO]- 379.118701 198.1
[M+CH3COO]- 393.134351 190.2
[M+Na-2H]- 355.095166 182.1
[M]+ 334.11995142 183.4
[M]- 334.12104858 183.4
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.