CID 44257522

Ambanol

Structural Information

Molecular Formula
C19H16O6
SMILES
COC1=CC2=C(C=C1C3COC4=C(C3O)C=C5C=COC5=C4)OCO2
InChI
InChI=1S/C19H16O6/c1-21-15-7-18-17(24-9-25-18)5-11(15)13-8-23-16-6-14-10(2-3-22-14)4-12(16)19(13)20/h2-7,13,19-20H,8-9H2,1H3
InChIKey
DORQFPCYGCVJIH-UHFFFAOYSA-N
Compound name
6-(6-methoxy-1,3-benzodioxol-5-yl)-6,7-dihydro-5H-furo[3,2-g]chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0947 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 172.0
[M+Na]+ 363.08392 182.3
[M-H]- 339.08742 183.9
[M+NH4]+ 358.12852 186.3
[M+K]+ 379.05786 182.9
[M+H-H2O]+ 323.09196 167.9
[M+HCOO]- 385.09290 188.2
[M+CH3COO]- 399.10855 184.9
[M+Na-2H]- 361.06937 176.9
[M]+ 340.09415 179.2
[M]- 340.09525 179.2
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.