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 195.3
[M+Na]+ 433.08938 209.1
[M-H]- 409.09288 205.4
[M+NH4]+ 428.13398 204.9
[M+K]+ 449.06332 208.4
[M+H-H2O]+ 393.09742 185.8
[M+HCOO]- 455.09836 213.7
[M+CH3COO]- 469.11401 226.8
[M+Na-2H]- 431.07483 199.6
[M]+ 410.09961 207.5
[M]- 410.10071 207.5
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

No patent data available for this compound.