CID 44257454

Mucronucarpan

Structural Information

Molecular Formula
C17H16O6
SMILES
COC1=C(C2=C(C=C1)C3COC4=CC(=C(C=C4C3O2)O)OC)O
InChI
InChI=1S/C17H16O6/c1-20-12-4-3-8-10-7-22-13-6-14(21-2)11(18)5-9(13)16(10)23-17(8)15(12)19/h3-6,10,16,18-19H,7H2,1-2H3
InChIKey
VAQJBUHMKPFSRD-UHFFFAOYSA-N
Compound name
3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-2,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.