CID 442792

4-hydroxyhomopterocarpin

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4O)OC
InChI
InChI=1S/C17H16O5/c1-19-9-3-4-10-12-8-21-17-11(16(12)22-14(10)7-9)5-6-13(20-2)15(17)18/h3-7,12,16,18H,8H2,1-2H3/t12-,16-/m0/s1
InChIKey
YHSXPHNOIMTWTH-LRDDRELGSA-N
Compound name
(6aR,11aR)-3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

300.09976 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 164.2
[M+Na]+ 323.08898 173.9
[M-H]- 299.09248 171.1
[M+NH4]+ 318.13358 181.4
[M+K]+ 339.06292 172.6
[M+H-H2O]+ 283.09702 158.3
[M+HCOO]- 345.09796 180.7
[M+CH3COO]- 359.11361 176.7
[M+Na-2H]- 321.07443 170.3
[M]+ 300.09921 169.6
[M]- 300.10031 169.6
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

patents stripe