CID 54715762

Thonningine b

Structural Information

Molecular Formula
C23H20O7
SMILES
CC(=C)C1=CC2=C(O1)C(=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)OC
InChI
InChI=1S/C23H20O7/c1-11(2)15-10-14-19(27-4)17-18(24)16(12-6-8-13(26-3)9-7-12)23(25)30-21(17)22(28-5)20(14)29-15/h6-10,24H,1H2,2-5H3
InChIKey
JFOIHGHOZIMXTP-UHFFFAOYSA-N
Compound name
5-hydroxy-4,9-dimethoxy-6-(4-methoxyphenyl)-2-prop-1-en-2-ylfuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1209 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12818 195.2
[M+Na]+ 431.11012 207.3
[M-H]- 407.11362 206.0
[M+NH4]+ 426.15472 207.2
[M+K]+ 447.08406 206.1
[M+H-H2O]+ 391.11816 187.8
[M+HCOO]- 453.11910 214.9
[M+CH3COO]- 467.13475 226.7
[M+Na-2H]- 429.09557 197.1
[M]+ 408.12035 207.6
[M]- 408.12145 207.6
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

No patent data available for this compound.