CID 5319351

Melilotocarpan d

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4O)OC)O
InChI
InChI=1S/C17H16O6/c1-20-11-6-4-9-15-10(7-22-16(9)13(11)18)8-3-5-12(21-2)14(19)17(8)23-15/h3-6,10,15,18-19H,7H2,1-2H3
InChIKey
TYCXZCXHNKDQCZ-UHFFFAOYSA-N
Compound name
3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

316.0947 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10198 167.4
[M+Na]+ 339.08392 177.3
[M-H]- 315.08742 173.4
[M+NH4]+ 334.12852 183.4
[M+K]+ 355.05786 176.1
[M+H-H2O]+ 299.09196 161.9
[M+HCOO]- 361.09290 182.4
[M+CH3COO]- 375.10855 179.4
[M+Na-2H]- 337.06937 172.7
[M]+ 316.09415 173.0
[M]- 316.09525 173.0
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