CID 493292

Caledonixanthone a

Structural Information

Molecular Formula
C19H18O4
SMILES
C[C@]1(CC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4O3)OC1(C)C)O
InChI
InChI=1S/C19H18O4/c1-18(2)19(3,21)10-11-8-9-13-15(20)12-6-4-5-7-14(12)22-17(13)16(11)23-18/h4-9,21H,10H2,1-3H3/t19-/m1/s1
InChIKey
IIWLXMFDLGCBFC-LJQANCHMSA-N
Compound name
(3R)-3-hydroxy-2,2,3-trimethyl-4H-pyrano[3,2-c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 168.9
[M+Na]+ 333.10972 181.6
[M-H]- 309.11322 176.6
[M+NH4]+ 328.15432 188.0
[M+K]+ 349.08366 179.2
[M+H-H2O]+ 293.11776 160.9
[M+HCOO]- 355.11870 185.1
[M+CH3COO]- 369.13435 181.8
[M+Na-2H]- 331.09517 179.3
[M]+ 310.11995 174.2
[M]- 310.12105 174.2
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.