CID 44257869

Dinklagin b

Structural Information

Molecular Formula
C20H18O6
SMILES
CC1(C(CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H18O6/c1-20(2)17(23)7-12-15(26-20)9-16-18(19(12)24)13(22)8-14(25-16)10-3-5-11(21)6-4-10/h3-6,8-9,17,21,23-24H,7H2,1-2H3
InChIKey
FJVQQAWOOLFVQM-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.4
[M+Na]+ 377.09957 192.0
[M-H]- 353.10307 188.7
[M+NH4]+ 372.14417 194.2
[M+K]+ 393.07351 189.8
[M+H-H2O]+ 337.10761 173.4
[M+HCOO]- 399.10855 194.8
[M+CH3COO]- 413.12420 192.3
[M+Na-2H]- 375.08502 187.0
[M]+ 354.10980 184.4
[M]- 354.11090 184.4
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.