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]+ 335.12778 177.3
[M+Na]+ 357.10972 188.2
[M-H]- 333.11322 187.6
[M+NH4]+ 352.15432 196.0
[M+K]+ 373.08366 184.8
[M+H-H2O]+ 317.11776 169.8
[M+HCOO]- 379.11870 198.1
[M+CH3COO]- 393.13435 190.2
[M+Na-2H]- 355.09517 182.1
[M]+ 334.11995 183.4
[M]- 334.12105 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.