CID 14730816

Prebarbigerone

Structural Information

Molecular Formula
C24H26O6
SMILES
CC(=CCC1=C(C=CC2=C1OC=C(C2=O)C3=CC(=C(C=C3OC)OC)OC)OC)C
InChI
InChI=1S/C24H26O6/c1-14(2)7-8-15-19(26-3)10-9-16-23(25)18(13-30-24(15)16)17-11-21(28-5)22(29-6)12-20(17)27-4/h7,9-13H,8H2,1-6H3
InChIKey
RJNWIKZTUCDSTR-UHFFFAOYSA-N
Compound name
7-methoxy-8-(3-methylbut-2-enyl)-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.17294 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18022 198.5
[M+Na]+ 433.16216 207.9
[M-H]- 409.16566 207.6
[M+NH4]+ 428.20676 209.5
[M+K]+ 449.13610 206.1
[M+H-H2O]+ 393.17020 189.0
[M+HCOO]- 455.17114 218.4
[M+CH3COO]- 469.18679 229.6
[M+Na-2H]- 431.14761 199.1
[M]+ 410.17239 209.4
[M]- 410.17349 209.4
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.