CID 44715508

Ns00097260

Structural Information

Molecular Formula
C21H22O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC(=C(C=C3)O)OC)O)C
InChI
InChI=1S/C21H22O6/c1-11(2)4-6-13-15(23)9-19-20(21(13)25)16(24)10-17(27-19)12-5-7-14(22)18(8-12)26-3/h4-5,7-9,17,22-23,25H,6,10H2,1-3H3
InChIKey
GWVGVAPNTKLROZ-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14163 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.148906 187.0
[M+Na]+ 393.130848 194.5
[M-H]- 369.134354 191.8
[M+NH4]+ 388.175453 197.4
[M+K]+ 409.104788 191.2
[M+H-H2O]+ 353.138890 179.3
[M+HCOO]- 415.139831 200.6
[M+CH3COO]- 429.155481 215.2
[M+Na-2H]- 391.116296 186.2
[M]+ 370.14108142 189.0
[M]- 370.14217858 189.0
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.