CID 56776328

Compound np-017823

Structural Information

Molecular Formula
C20H22O8
SMILES
COC1=C(C(=C2C(=C1)C3C(CO2)C4=CC(=C(C(=C4O3)OC)OC)O)OC)OC
InChI
InChI=1S/C20H22O8/c1-22-13-7-10-14-11(8-27-15(10)19(25-4)18(13)24-3)9-6-12(21)17(23-2)20(26-5)16(9)28-14/h6-7,11,14,21H,8H2,1-5H3
InChIKey
YBVIOLRRXMAGAE-UHFFFAOYSA-N
Compound name
2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.13147 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.138746 187.2
[M+Na]+ 413.120688 197.0
[M-H]- 389.124194 194.5
[M+NH4]+ 408.165293 201.0
[M+K]+ 429.094628 197.9
[M+H-H2O]+ 373.128730 180.8
[M+HCOO]- 435.129671 202.7
[M+CH3COO]- 449.145321 223.3
[M+Na-2H]- 411.106136 190.5
[M]+ 390.13092142 199.1
[M]- 390.13201858 199.1
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.