CID 11151593

Hyperxanthone e

Structural Information

Molecular Formula
C18H16O6
SMILES
CC1(CCC2=C(O1)C(=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O)O)C
InChI
InChI=1S/C18H16O6/c1-18(2)4-3-9-14-13(7-11(21)17(9)24-18)23-12-6-8(19)5-10(20)15(12)16(14)22/h5-7,19-21H,3-4H2,1-2H3
InChIKey
JXBWMJZDYVJVIV-UHFFFAOYSA-N
Compound name
5,9,11-trihydroxy-3,3-dimethyl-1,2-dihydropyrano[3,2-a]xanthen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6
Patents

328.0947 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.0
[M+Na]+ 351.08392 188.1
[M+NH4]+ 346.12852 181.0
[M+K]+ 367.05786 180.5
[M-H]- 327.08742 177.0
[M+Na-2H]- 349.06937 176.2
[M]+ 328.09415 176.1
[M]- 328.09525 176.1
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

patents stripe