CID 493293

Caledonixanthone b

Structural Information

Molecular Formula
C18H14O3
SMILES
CC1(C=CC2=C(O1)C3=C(C=C2)C(=O)C4=CC=CC=C4O3)C
InChI
InChI=1S/C18H14O3/c1-18(2)10-9-11-7-8-13-15(19)12-5-3-4-6-14(12)20-17(13)16(11)21-18/h3-10H,1-2H3
InChIKey
XTIBCIHWCDQZJY-UHFFFAOYSA-N
Compound name
2,2-dimethylpyrano[3,2-c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.0943 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10158 160.2
[M+Na]+ 301.08352 173.0
[M-H]- 277.08702 169.1
[M+NH4]+ 296.12812 179.1
[M+K]+ 317.05746 170.4
[M+H-H2O]+ 261.09156 152.0
[M+HCOO]- 323.09250 179.7
[M+CH3COO]- 337.10815 174.1
[M+Na-2H]- 299.06897 171.9
[M]+ 278.09375 165.8
[M]- 278.09485 165.8
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.