CID 6450964

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(e)-3-methylpent-2-enyl]chromen-4-one

Structural Information

Molecular Formula
C21H20O6
SMILES
CC/C(=C/CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)/C
InChI
InChI=1S/C21H20O6/c1-3-11(2)4-6-13-15(23)9-19-20(21(13)26)17(25)10-18(27-19)12-5-7-14(22)16(24)8-12/h4-5,7-10,22-24,26H,3,6H2,1-2H3/b11-4+
InChIKey
ZLWRESLPIXVSSX-NYYWCZLTSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-3-methylpent-2-enyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.12598 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 186.3
[M+Na]+ 391.11520 195.3
[M-H]- 367.11870 190.6
[M+NH4]+ 386.15980 196.3
[M+K]+ 407.08914 191.0
[M+H-H2O]+ 351.12324 178.7
[M+HCOO]- 413.12418 201.3
[M+CH3COO]- 427.13983 212.5
[M+Na-2H]- 389.10065 186.8
[M]+ 368.12543 189.3
[M]- 368.12653 189.3
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.