CID 44257866

Dinklagin c

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=C)C(CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C20H18O6/c1-10(2)14(22)7-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)11-3-5-12(21)6-4-11/h3-6,8-9,14,21-23,25H,1,7H2,2H3
InChIKey
PDONMPUBRSPUSC-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.11035 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.0
[M+Na]+ 377.09957 189.2
[M-H]- 353.10307 185.1
[M+NH4]+ 372.14417 191.1
[M+K]+ 393.07351 185.6
[M+H-H2O]+ 337.10761 173.6
[M+HCOO]- 399.10855 195.3
[M+CH3COO]- 413.12420 209.8
[M+Na-2H]- 375.08502 181.6
[M]+ 354.10980 182.7
[M]- 354.11090 182.7
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.