CID 42607823

3',4'-methylenedioxy-[2'',3'':7,8]furanoflavanone

Structural Information

Molecular Formula
C18H12O5
SMILES
C1C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C18H12O5/c19-13-8-16(10-1-3-15-17(7-10)22-9-21-15)23-18-11(13)2-4-14-12(18)5-6-20-14/h1-7,16H,8-9H2
InChIKey
SXFFQMAXCHJUIA-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-2,3-dihydrofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

308.06848 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07576 163.1
[M+Na]+ 331.05770 174.0
[M-H]- 307.06120 176.1
[M+NH4]+ 326.10230 179.1
[M+K]+ 347.03164 174.3
[M+H-H2O]+ 291.06574 158.9
[M+HCOO]- 353.06668 181.2
[M+CH3COO]- 367.08233 177.0
[M+Na-2H]- 329.04315 169.2
[M]+ 308.06793 169.1
[M]- 308.06903 169.1
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

patents stripe