CID 10477206

Oppositin

Structural Information

Molecular Formula
C24H20O7
SMILES
CC1=C(C(=O)C=C(O1)C2=C(C=C3C(=C2OC)C(=O)C=C(O3)C4=CC=CC=C4)OC)OC
InChI
InChI=1S/C24H20O7/c1-13-23(28-3)16(26)11-19(30-13)22-18(27-2)12-20-21(24(22)29-4)15(25)10-17(31-20)14-8-6-5-7-9-14/h5-12H,1-4H3
InChIKey
GVWXIXXSXKCKKX-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-6-(5-methoxy-6-methyl-4-oxopyran-2-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

420.1209 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12818 200.1
[M+Na]+ 443.11012 211.7
[M-H]- 419.11362 213.8
[M+NH4]+ 438.15472 208.9
[M+K]+ 459.08406 211.2
[M+H-H2O]+ 403.11816 189.1
[M+HCOO]- 465.11910 221.2
[M+CH3COO]- 479.13475 229.9
[M+Na-2H]- 441.09557 203.7
[M]+ 420.12035 211.2
[M]- 420.12145 211.2
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

patents stripe