CID 493294

Caledonixanthone c

Structural Information

Molecular Formula
C18H16O4
SMILES
CC(C)(C1CC2=C(O1)C3=C(C=C2)C(=O)C4=CC=CC=C4O3)O
InChI
InChI=1S/C18H16O4/c1-18(2,20)14-9-10-7-8-12-15(19)11-5-3-4-6-13(11)21-17(12)16(10)22-14/h3-8,14,20H,9H2,1-2H3
InChIKey
OKZADUDRUAZXJS-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-c]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.10486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 164.7
[M+Na]+ 319.09408 176.1
[M-H]- 295.09758 172.3
[M+NH4]+ 314.13868 182.3
[M+K]+ 335.06802 173.7
[M+H-H2O]+ 279.10212 159.4
[M+HCOO]- 341.10306 182.2
[M+CH3COO]- 355.11871 177.9
[M+Na-2H]- 317.07953 173.6
[M]+ 296.10431 170.4
[M]- 296.10541 170.4
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.