CID 13871793

Desertorin a anion

Structural Information

Molecular Formula
C22H18O8
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C4=C(C=C3O)OC(=O)C=C4OC)C)O
InChI
InChI=1S/C22H18O8/c1-9-5-11(23)21(22-18(9)13(27-3)7-17(26)30-22)19-10(2)20-14(28-4)8-16(25)29-15(20)6-12(19)24/h5-8,23-24H,1-4H3
InChIKey
PRMZXICFBUXBCX-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(7-hydroxy-4-methoxy-5-methyl-2-oxochromen-6-yl)-4-methoxy-5-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.10016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10744 194.2
[M+Na]+ 433.08938 212.7
[M+NH4]+ 428.13398 200.0
[M+K]+ 449.06332 206.8
[M-H]- 409.09288 200.7
[M+Na-2H]- 431.07483 199.0
[M]+ 410.09961 199.0
[M]- 410.10071 199.0
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.