CID 3428129

Ichthynone

Structural Information

Molecular Formula
C23H20O7
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C(=CO3)C4=CC5=C(C=C4OC)OCO5)C
InChI
InChI=1S/C23H20O7/c1-23(2)6-5-12-21-14(8-19(26-4)22(12)30-23)20(24)15(10-27-21)13-7-17-18(29-11-28-17)9-16(13)25-3/h5-10H,11H2,1-4H3
InChIKey
NPYOKEDYJXYSTA-UHFFFAOYSA-N
Compound name
6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

408.1209 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12818 194.6
[M+Na]+ 431.11012 206.4
[M-H]- 407.11362 207.9
[M+NH4]+ 426.15472 207.1
[M+K]+ 447.08406 207.8
[M+H-H2O]+ 391.11816 186.9
[M+HCOO]- 453.11910 209.9
[M+CH3COO]- 467.13475 206.7
[M+Na-2H]- 429.09557 200.2
[M]+ 408.12035 205.5
[M]- 408.12145 205.5
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

patents stripe