CID 5464638

Caloxanthone g

Structural Information

Molecular Formula
C19H18O5
SMILES
C[C@]1(CC2=C(C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)OC1(C)C)O
InChI
InChI=1S/C19H18O5/c1-18(2)19(3,22)9-10-7-8-11-15(21)14-12(20)5-4-6-13(14)23-17(11)16(10)24-18/h4-8,20,22H,9H2,1-3H3/t19-/m1/s1
InChIKey
YBFQUXKDDCJIKI-LJQANCHMSA-N
Compound name
(3R)-3,8-dihydroxy-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

326.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 172.5
[M+Na]+ 349.10464 185.4
[M-H]- 325.10814 179.2
[M+NH4]+ 344.14924 190.5
[M+K]+ 365.07858 183.1
[M+H-H2O]+ 309.11268 164.9
[M+HCOO]- 371.11362 187.3
[M+CH3COO]- 385.12927 184.9
[M+Na-2H]- 347.09009 182.2
[M]+ 326.11487 178.1
[M]- 326.11597 178.1
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.