CID 12218867

Chebi:175208

Structural Information

Molecular Formula
C18H18O6
SMILES
COC1=CC2=C(C=C1)C3COC4=C(C(=C(C=C4C3O2)OC)OC)O
InChI
InChI=1S/C18H18O6/c1-20-9-4-5-10-12-8-23-17-11(16(12)24-13(10)6-9)7-14(21-2)18(22-3)15(17)19/h4-7,12,16,19H,8H2,1-3H3
InChIKey
APDOGYRSSCEXNB-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

330.11035 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11763 172.1
[M+Na]+ 353.09957 181.9
[M-H]- 329.10307 179.2
[M+NH4]+ 348.14417 188.2
[M+K]+ 369.07351 181.3
[M+H-H2O]+ 313.10761 166.1
[M+HCOO]- 375.10855 188.3
[M+CH3COO]- 389.12420 184.3
[M+Na-2H]- 351.08502 177.2
[M]+ 330.10980 179.7
[M]- 330.11090 179.7
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.