CID 170569

Irisflorentin

Structural Information

Molecular Formula
C20H18O8
SMILES
COC1=CC(=CC(=C1OC)OC)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4
InChI
InChI=1S/C20H18O8/c1-22-13-5-10(6-14(23-2)18(13)24-3)11-8-26-12-7-15-19(28-9-27-15)20(25-4)16(12)17(11)21/h5-8H,9H2,1-4H3
InChIKey
RISXUTCDCPHJFQ-UHFFFAOYSA-N
Compound name
9-methoxy-7-(3,4,5-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

96
Patents

386.10016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 185.9
[M+Na]+ 409.08938 197.1
[M-H]- 385.09288 198.0
[M+NH4]+ 404.13398 197.8
[M+K]+ 425.06332 199.0
[M+H-H2O]+ 369.09742 178.7
[M+HCOO]- 431.09836 205.4
[M+CH3COO]- 445.11401 221.8
[M+Na-2H]- 407.07483 190.6
[M]+ 386.09961 199.2
[M]- 386.10071 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.