CID 494489

Nsc625327

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)O)O
InChI
InChI=1S/C16H14O5/c1-19-8-2-3-9-14(4-8)20-7-11-10-5-12(17)13(18)6-15(10)21-16(9)11/h2-6,11,16-18H,7H2,1H3
InChIKey
PBVGYVJIVLAMFY-UHFFFAOYSA-N
Compound name
3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-8,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.4
[M+Na]+ 309.07336 169.2
[M-H]- 285.07686 165.3
[M+NH4]+ 304.11796 176.6
[M+K]+ 325.04730 167.4
[M+H-H2O]+ 269.08140 154.1
[M+HCOO]- 331.08234 174.8
[M+CH3COO]- 345.09799 171.8
[M+Na-2H]- 307.05881 165.8
[M]+ 286.08359 162.9
[M]- 286.08469 162.9
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.