CID 42608102

5-hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone

Structural Information

Molecular Formula
C19H14O7
SMILES
COC1=C(C2=C(C3=C1OC=C3)OC(CC2=O)C4=CC5=C(C=C4)OCO5)O
InChI
InChI=1S/C19H14O7/c1-22-19-16(21)15-11(20)7-13(26-17(15)10-4-5-23-18(10)19)9-2-3-12-14(6-9)25-8-24-12/h2-6,13,21H,7-8H2,1H3
InChIKey
NDRSNJAZIATHAK-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5-hydroxy-6-methoxy-2,3-dihydrofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.07394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08122 174.5
[M+Na]+ 377.06316 185.5
[M-H]- 353.06666 186.8
[M+NH4]+ 372.10776 188.3
[M+K]+ 393.03710 186.4
[M+H-H2O]+ 337.07120 170.5
[M+HCOO]- 399.07214 190.9
[M+CH3COO]- 413.08779 187.5
[M+Na-2H]- 375.04861 179.0
[M]+ 354.07339 182.9
[M]- 354.07449 182.9
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