CID 5464635

Caledonixanthone f

Structural Information

Molecular Formula
C19H18O7
SMILES
CC(C)(C1CC2=C3C(=C(C(=C2O1)OC)O)C(=O)C4=C(O3)C(=CC=C4)O)O
InChI
InChI=1S/C19H18O7/c1-19(2,23)11-7-9-16-12(14(22)18(24-3)17(9)25-11)13(21)8-5-4-6-10(20)15(8)26-16/h4-6,11,20,22-23H,7H2,1-3H3
InChIKey
XQCTVPJMQLAEDI-UHFFFAOYSA-N
Compound name
5,10-dihydroxy-2-(2-hydroxypropan-2-yl)-4-methoxy-1,2-dihydrofuro[2,3-c]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.10526 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 179.4
[M+Na]+ 381.09448 190.9
[M-H]- 357.09798 185.1
[M+NH4]+ 376.13908 193.3
[M+K]+ 397.06842 189.5
[M+H-H2O]+ 341.10252 174.5
[M+HCOO]- 403.10346 193.6
[M+CH3COO]- 417.11911 212.0
[M+Na-2H]- 379.07993 185.8
[M]+ 358.10471 187.6
[M]- 358.10581 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.