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

1
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

patents stripe