CID 5321880

Ugaxanthone

Structural Information

Molecular Formula
C18H16O6
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(=C(C=C3)O)O)C
InChI
InChI=1S/C18H16O6/c1-8(2)3-4-9-12(20)7-13(21)14-15(22)10-5-6-11(19)16(23)18(10)24-17(9)14/h3,5-7,19-21,23H,4H2,1-2H3
InChIKey
ZZUFNBISWJNCEE-UHFFFAOYSA-N
Compound name
1,3,5,6-tetrahydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 173.6
[M+Na]+ 351.08392 188.3
[M+NH4]+ 346.12852 179.4
[M+K]+ 367.05786 183.3
[M-H]- 327.08742 175.4
[M+Na-2H]- 349.06937 176.0
[M]+ 328.09415 176.2
[M]- 328.09525 176.2
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

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