CID 71591732

Paxanthone

Structural Information

Molecular Formula
C19H16O6
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)OC)OC4=CC(=CC(=C4C3=O)O)O)C
InChI
InChI=1S/C19H16O6/c1-19(2)5-4-10-15-13(8-14(23-3)18(10)25-19)24-12-7-9(20)6-11(21)16(12)17(15)22/h4-8,20-21H,1-3H3
InChIKey
VGIAHLPVRAXCNK-UHFFFAOYSA-N
Compound name
9,11-dihydroxy-5-methoxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
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

literature stripe

Patent stripe

patents stripe