CID 14777482

35323-89-8

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)OC)OC)C
InChI
InChI=1S/C20H20O5/c1-11(2)8-9-12-15(24-4)10-16-17(18(12)21)19(22)13-6-5-7-14(23-3)20(13)25-16/h5-8,10,21H,9H2,1-4H3
InChIKey
ADQOAYRZNAECHD-UHFFFAOYSA-N
Compound name
1-hydroxy-3,5-dimethoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.13107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 178.0
[M+Na]+ 363.12029 189.1
[M-H]- 339.12379 184.0
[M+NH4]+ 358.16489 192.5
[M+K]+ 379.09423 186.1
[M+H-H2O]+ 323.12833 170.4
[M+HCOO]- 385.12927 197.4
[M+CH3COO]- 399.14492 213.6
[M+Na-2H]- 361.10574 182.5
[M]+ 340.13052 186.8
[M]- 340.13162 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe