CID 13965870

Honyudisin

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(=CCC1=C2C(=C3C(=C1O)C=CC(=O)O3)C=CC(O2)(C)C)C
InChI
InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3
InChIKey
QMEMHCMQAQFMEL-UHFFFAOYSA-N
Compound name
5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13617 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 171.5
[M+Na]+ 335.12539 186.6
[M+NH4]+ 330.16999 180.6
[M+K]+ 351.09933 178.1
[M-H]- 311.12889 176.6
[M+Na-2H]- 333.11084 176.3
[M]+ 312.13562 175.5
[M]- 312.13672 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.