CID 5464634

Caledonixanthone e

Structural Information

Molecular Formula
C19H16O6
SMILES
CC1(C=CC2=C3C(=C(C(=C2O1)OC)O)C(=O)C4=C(O3)C(=CC=C4)O)C
InChI
InChI=1S/C19H16O6/c1-19(2)8-7-10-16-12(14(22)18(23-3)17(10)25-19)13(21)9-5-4-6-11(20)15(9)24-16/h4-8,20,22H,1-3H3
InChIKey
ZIEUXPKJRAAADX-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-5-methoxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.0947 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10198 175.5
[M+Na]+ 363.08392 188.8
[M-H]- 339.08742 182.6
[M+NH4]+ 358.12852 191.1
[M+K]+ 379.05786 187.2
[M+H-H2O]+ 323.09196 167.7
[M+HCOO]- 385.09290 191.8
[M+CH3COO]- 399.10855 188.1
[M+Na-2H]- 361.06937 184.5
[M]+ 340.09415 183.9
[M]- 340.09525 183.9
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.