CID 6313827

Boesenbergin a

Structural Information

Molecular Formula
C26H28O4
SMILES
CC(=CCCC1(C=CC2=C(C=C(C(=C2O1)C(=O)/C=C/C3=CC=CC=C3)O)OC)C)C
InChI
InChI=1S/C26H28O4/c1-18(2)9-8-15-26(3)16-14-20-23(29-4)17-22(28)24(25(20)30-26)21(27)13-12-19-10-6-5-7-11-19/h5-7,9-14,16-17,28H,8,15H2,1-4H3/b13-12+
InChIKey
CTWSWRSNFKNYMF-OUKQBFOZSA-N
Compound name
(E)-1-[7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

404.19876 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20604 201.2
[M+Na]+ 427.18798 207.2
[M-H]- 403.19148 207.4
[M+NH4]+ 422.23258 212.9
[M+K]+ 443.16192 202.8
[M+H-H2O]+ 387.19602 192.6
[M+HCOO]- 449.19696 216.5
[M+CH3COO]- 463.21261 224.2
[M+Na-2H]- 425.17343 201.3
[M]+ 404.19821 204.5
[M]- 404.19931 204.5
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

No patent data available for this compound.