CID 6474490

Anhydrosidbifolin

Structural Information

Molecular Formula
C20H20O4
SMILES
CC1=CC(=O)C2=C(C(=C3C(=C2O1)C=CC(O3)(C)C)/C=C/C(=C)C)O
InChI
InChI=1S/C20H20O4/c1-11(2)6-7-13-17(22)16-15(21)10-12(3)23-19(16)14-8-9-20(4,5)24-18(13)14/h6-10,22H,1H2,2-5H3/b7-6+
InChIKey
BYAMJKPLAIUFKZ-VOTSOKGWSA-N
Compound name
5-hydroxy-2,8,8-trimethyl-6-[(1E)-3-methylbuta-1,3-dienyl]pyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.13617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 174.5
[M+Na]+ 347.12539 185.6
[M-H]- 323.12889 180.9
[M+NH4]+ 342.16999 190.4
[M+K]+ 363.09933 182.7
[M+H-H2O]+ 307.13343 168.0
[M+HCOO]- 369.13437 190.3
[M+CH3COO]- 383.15002 211.2
[M+Na-2H]- 345.11084 179.2
[M]+ 324.13562 179.5
[M]- 324.13672 179.5
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.