CID 9952125

Recoflavone

Structural Information

Molecular Formula
C20H18O8
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OCC(=O)O)OC
InChI
InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)
InChIKey
BCPQOBQIVJZOFL-UHFFFAOYSA-N
Compound name
2-[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxochromen-7-yl]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

153
Patents

386.10016 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10744 185.0
[M+Na]+ 409.08938 194.2
[M-H]- 385.09288 193.0
[M+NH4]+ 404.13398 195.6
[M+K]+ 425.06332 194.0
[M+H-H2O]+ 369.09742 175.9
[M+HCOO]- 431.09836 205.2
[M+CH3COO]- 445.11401 219.6
[M+Na-2H]- 407.07483 188.5
[M]+ 386.09961 195.4
[M]- 386.10071 195.4
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.