CID 10404741

Dulciol d

Structural Information

Molecular Formula
C20H16O5
SMILES
CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C3)C=CO4)O
InChI
InChI=1S/C20H16O5/c1-4-20(2,3)12-9-13(21)19-14(16(12)23)15(22)11-6-5-10-7-8-24-17(10)18(11)25-19/h4-9,21,23H,1H2,2-3H3
InChIKey
XYTVIOHQRFERMN-UHFFFAOYSA-N
Compound name
7,10-dihydroxy-8-(2-methylbut-3-en-2-yl)furo[3,2-c]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09976 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 175.0
[M+Na]+ 359.08898 191.6
[M+NH4]+ 354.13358 182.5
[M+K]+ 375.06292 187.3
[M-H]- 335.09248 179.7
[M+Na-2H]- 357.07443 178.9
[M]+ 336.09921 179.0
[M]- 336.10031 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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