CID 42607743

3',4'-methylenedioxyfurano[2'',3'':6,7]aurone

Structural Information

Molecular Formula
C18H10O5
SMILES
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)C4=C(O3)C5=C(C=C4)OC=C5
InChI
InChI=1S/C18H10O5/c19-17-12-2-4-13-11(5-6-20-13)18(12)23-16(17)8-10-1-3-14-15(7-10)22-9-21-14/h1-8H,9H2
InChIKey
UTMHQTAESOETQZ-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-ylmethylidene)furo[2,3-e][1]benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05283 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06011 162.8
[M+Na]+ 329.04205 174.8
[M-H]- 305.04555 176.4
[M+NH4]+ 324.08665 180.8
[M+K]+ 345.01599 174.6
[M+H-H2O]+ 289.05009 161.0
[M+HCOO]- 351.05103 183.3
[M+CH3COO]- 365.06668 177.5
[M+Na-2H]- 327.02750 167.0
[M]+ 306.05228 170.4
[M]- 306.05338 170.4
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

No patent data available for this compound.