CID 171120024

Demeapollinin

Structural Information

Molecular Formula
C21H16O5
SMILES
CC1(C=C(C(=O)O1)C2=C(C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)O)C
InChI
InChI=1S/C21H16O5/c1-21(2)11-14(20(24)26-21)18-15(22)9-8-13-16(23)10-17(25-19(13)18)12-6-4-3-5-7-12/h3-11,22H,1-2H3
InChIKey
WERKITJNOGWYDM-UHFFFAOYSA-N
Compound name
8-(5,5-dimethyl-2-oxofuran-3-yl)-7-hydroxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.09976 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10704 178.9
[M+Na]+ 371.08898 190.5
[M-H]- 347.09248 191.5
[M+NH4]+ 366.13358 193.9
[M+K]+ 387.06292 187.9
[M+H-H2O]+ 331.09702 171.6
[M+HCOO]- 393.09796 199.2
[M+CH3COO]- 407.11361 191.9
[M+Na-2H]- 369.07443 182.8
[M]+ 348.09921 183.9
[M]- 348.10031 183.9
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.