CID 44257377

Neoraunone

Structural Information

Molecular Formula
C19H16O5
SMILES
COC1=CC(=C(C=C1)C2COC3=C(C2=O)C=C4C=COC4=C3)OC
InChI
InChI=1S/C19H16O5/c1-21-12-3-4-13(17(8-12)22-2)15-10-24-18-9-16-11(5-6-23-16)7-14(18)19(15)20/h3-9,15H,10H2,1-2H3
InChIKey
GYRNIBZHZCUTTL-UHFFFAOYSA-N
Compound name
6-(2,4-dimethoxyphenyl)-6,7-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 171.5
[M+Na]+ 347.08898 182.2
[M-H]- 323.09248 182.5
[M+NH4]+ 342.13358 187.2
[M+K]+ 363.06292 180.9
[M+H-H2O]+ 307.09702 164.4
[M+HCOO]- 369.09796 192.2
[M+CH3COO]- 383.11361 184.8
[M+Na-2H]- 345.07443 177.0
[M]+ 324.09921 178.8
[M]- 324.10031 178.8
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.