CID 14409176

Bisosthenon b

Structural Information

Molecular Formula
C28H24O8
SMILES
CC(=O)C1C(C(C1C(=O)C)C2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=CC5=C4OC(=O)C=C5)OC
InChI
InChI=1S/C28H24O8/c1-13(29)21-22(14(2)30)26(24-18(34-4)10-6-16-8-12-20(32)36-28(16)24)25(21)23-17(33-3)9-5-15-7-11-19(31)35-27(15)23/h5-12,21-22,25-26H,1-4H3
InChIKey
WZTQDHIHDRTWFQ-UHFFFAOYSA-N
Compound name
8-[2,3-diacetyl-4-(7-methoxy-2-oxochromen-8-yl)cyclobutyl]-7-methoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.14713 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.15441 212.5
[M+Na]+ 511.13635 220.6
[M-H]- 487.13985 225.5
[M+NH4]+ 506.18095 212.5
[M+K]+ 527.11029 224.3
[M+H-H2O]+ 471.14439 195.8
[M+HCOO]- 533.14533 227.9
[M+CH3COO]- 547.16098 247.3
[M+Na-2H]- 509.12180 212.2
[M]+ 488.14658 231.4
[M]- 488.14768 231.4
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.