CID 71307362

1,4,6-trihydroxy-5-methoxy-7-prenylxanthone

Structural Information

Molecular Formula
C19H18O6
SMILES
CC(=CCC1=CC2=C(C(=C1O)OC)OC3=C(C=CC(=C3C2=O)O)O)C
InChI
InChI=1S/C19H18O6/c1-9(2)4-5-10-8-11-16(23)14-12(20)6-7-13(21)18(14)25-17(11)19(24-3)15(10)22/h4,6-8,20-22H,5H2,1-3H3
InChIKey
XOFZQNNUVXEIJS-UHFFFAOYSA-N
Compound name
1,4,6-trihydroxy-5-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

342.11035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 177.6
[M+Na]+ 365.09957 192.6
[M+NH4]+ 360.14417 183.5
[M+K]+ 381.07351 187.1
[M-H]- 341.10307 179.9
[M+Na-2H]- 363.08502 180.4
[M]+ 342.10980 180.4
[M]- 342.11090 180.4
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