CID 44257284

Lupinisoflavone c

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(C)(C1CC2=C(O1)C=CC(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O
InChI
InChI=1S/C20H18O6/c1-20(2,24)17-6-11-5-10(3-4-15(11)26-17)13-9-25-16-8-12(21)7-14(22)18(16)19(13)23/h3-5,7-9,17,21-22,24H,6H2,1-2H3
InChIKey
ASFWAKDAUOGISP-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 180.0
[M+Na]+ 377.09957 189.7
[M-H]- 353.10307 187.4
[M+NH4]+ 372.14417 192.6
[M+K]+ 393.07351 187.5
[M+H-H2O]+ 337.10761 174.4
[M+HCOO]- 399.10855 194.2
[M+CH3COO]- 413.12420 209.6
[M+Na-2H]- 375.08502 184.8
[M]+ 354.10980 183.9
[M]- 354.11090 183.9
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

No patent data available for this compound.