CID 44257646

Hosloppin

Structural Information

Molecular Formula
C22H16O7
SMILES
CC1=C(C(=O)C(=CO1)C2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC=CC=C4)OC)O
InChI
InChI=1S/C22H16O7/c1-11-20(24)21(25)13(10-28-11)18-16(27-2)9-17-19(22(18)26)14(23)8-15(29-17)12-6-4-3-5-7-12/h3-10,24,26H,1-2H3
InChIKey
HYUWNBOIDCNLJZ-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(5-hydroxy-6-methyl-4-oxopyran-3-yl)-7-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

392.0896 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09688 191.4
[M+Na]+ 415.07882 203.1
[M-H]- 391.08232 202.9
[M+NH4]+ 410.12342 200.0
[M+K]+ 431.05276 201.3
[M+H-H2O]+ 375.08686 181.5
[M+HCOO]- 437.08780 210.2
[M+CH3COO]- 451.10345 220.1
[M+Na-2H]- 413.06427 195.3
[M]+ 392.08905 198.6
[M]- 392.09015 198.6
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

patents stripe