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

202
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

literature stripe

Patent stripe

patents stripe