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]+ 325.143446 174.5
[M+Na]+ 347.125388 185.6
[M-H]- 323.128894 180.9
[M+NH4]+ 342.169993 190.4
[M+K]+ 363.099328 182.7
[M+H-H2O]+ 307.133430 168.0
[M+HCOO]- 369.134371 190.3
[M+CH3COO]- 383.150021 211.2
[M+Na-2H]- 345.110836 179.2
[M]+ 324.13562142 179.5
[M]- 324.13671858 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.