CID 5378945

Hydroxywighteone

Structural Information

Molecular Formula
C20H18O6
SMILES
C/C(=C\CC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC=C(C=C3)O)O)/CO
InChI
InChI=1S/C20H18O6/c1-11(9-21)2-7-14-16(23)8-17-18(19(14)24)20(25)15(10-26-17)12-3-5-13(22)6-4-12/h2-6,8,10,21-24H,7,9H2,1H3/b11-2+
InChIKey
AROTXIUFXQZGLT-BIIKFXOESA-N
Compound name
5,7-dihydroxy-6-[(E)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.6
[M+Na]+ 377.09957 190.2
[M-H]- 353.10307 185.6
[M+NH4]+ 372.14417 191.8
[M+K]+ 393.07351 185.9
[M+H-H2O]+ 337.10761 174.0
[M+HCOO]- 399.10855 197.0
[M+CH3COO]- 413.12420 208.1
[M+Na-2H]- 375.08502 183.3
[M]+ 354.10980 183.8
[M]- 354.11090 183.8
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.