CID 454894

Ghl.pd_mitscher_leg0.247

Structural Information

Molecular Formula
C18H16O6
SMILES
COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C=CC(=C4C(=O)OC)O
InChI
InChI=1S/C18H16O6/c1-21-9-3-4-10-14(7-9)23-8-11-15-13(24-17(10)11)6-5-12(19)16(15)18(20)22-2/h3-7,11,17,19H,8H2,1-2H3
InChIKey
JTZAZOAPHYPCNJ-UHFFFAOYSA-N
Compound name
methyl 8-hydroxy-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0947 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 171.0
[M+Na]+ 351.083918 179.9
[M-H]- 327.087424 177.8
[M+NH4]+ 346.128523 186.8
[M+K]+ 367.057858 179.2
[M+H-H2O]+ 311.091960 165.0
[M+HCOO]- 373.092901 186.4
[M+CH3COO]- 387.108551 182.8
[M+Na-2H]- 349.069366 175.6
[M]+ 328.09415142 176.8
[M]- 328.09524858 176.8
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.