CID 5493670

2,4,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one

Structural Information

Molecular Formula
C18H16O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)OC3=CC(=CC(=C3C2=O)O)O)C
InChI
InChI=1S/C18H16O6/c1-8(2)3-4-10-11(20)7-13(22)18-15(10)17(23)16-12(21)5-9(19)6-14(16)24-18/h3,5-7,19-22H,4H2,1-2H3
InChIKey
BRERQMIMCLBRCS-UHFFFAOYSA-N
Compound name
2,4,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

328.0947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.7
[M+Na]+ 351.08392 184.0
[M-H]- 327.08742 175.4
[M+NH4]+ 346.12852 185.8
[M+K]+ 367.05786 180.1
[M+H-H2O]+ 311.09196 166.3
[M+HCOO]- 373.09290 188.4
[M+CH3COO]- 387.10855 205.1
[M+Na-2H]- 349.06937 176.5
[M]+ 328.09415 177.5
[M]- 328.09525 177.5
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

No patent data available for this compound.