CID 14162674

110187-11-6

Structural Information

Molecular Formula
C19H18O6
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3O2)O)O)OC)C
InChI
InChI=1S/C19H18O6/c1-9(2)4-5-10-13(24-3)8-14-16(17(10)22)18(23)15-11(20)6-7-12(21)19(15)25-14/h4,6-8,20-22H,5H2,1-3H3
InChIKey
AAANZTDKTFGJLZ-UHFFFAOYSA-N
Compound name
1,5,8-trihydroxy-3-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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